Công thức phân tử
C11H22O2

SMILES
CC(C)CCCCOC(=O)C(C)C

Trái cây	93.85%
Ngọt	61.82%
Thảo mộc	60.87%
Táo	59.72%
Xanh	51.51%
Dầu	47.78%
Hoa	43.51%
Rượu vang	40.99%
Chuối	40.62%
Nhiệt đới	40.09%

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XLogP3-AA
3.7

pKa ước lượng
8.58 (kiềm yếu)

Khối lượng phân tử
186.29 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Trung bình

Nhiệt độ sôi ước lượng
208°C

Nhiệt độ chớp cháy ước lượng
75.97 ˚C

• isoheptyl isobutyrate
• SCHEMBL7222773

Dung môi	Độ tan (g/L)
ethanol	6560.49
methanol	5455.4
isopropanol	6314.71
water	0.77
ethyl acetate	6517.35
n-propanol	4979.61
acetone	7192.15
n-butanol	4802.96
acetonitrile	4749.65
DMF	3944.26
toluene	1607.19
isobutanol	4534.49
1,4-dioxane	5066.05
methyl acetate	4192.89
THF	6364.13
2-butanone	5395.07
n-pentanol	3352.24
sec-butanol	5535.23
n-hexane	1864.71
ethylene glycol	395.95
NMP	3135.39
cyclohexane	1510.76
DMSO	3176.41
n-butyl acetate	6328.33
n-octanol	2008.82
chloroform	8871.02
n-propyl acetate	4136.17
acetic acid	4015.0
dichloromethane	7119.44
cyclohexanone	6592.91
propylene glycol	954.96
isopropyl acetate	4763.41
DMAc	3160.05
2-ethoxyethanol	3131.94
isopentanol	5057.99
n-heptane	659.0
ethyl formate	3072.72
1,2-dichloroethane	4899.1
n-hexanol	3999.83
2-methoxyethanol	4233.98
isobutyl acetate	2739.18
tetrachloromethane	1998.71
n-pentyl acetate	3194.41
transcutol	9306.69
n-heptanol	1868.67
ethylbenzene	1279.35
MIBK	3367.41
2-propoxyethanol	4301.25
tert-butanol	7791.33
MTBE	8183.85
2-butoxyethanol	2648.87
propionic acid	3066.12
o-xylene	1266.07
formic acid	754.23
diethyl ether	6078.3
m-xylene	1384.85
p-xylene	1879.99
chlorobenzene	2387.75
dimethyl carbonate	752.4
n-octane	330.17
formamide	954.64
cyclopentanone	4977.04
2-pentanone	5129.11
anisole	1934.72
cyclopentyl methyl ether	3958.44
gamma-butyrolactone	4824.45
1-methoxy-2-propanol	3580.51
pyridine	3550.07
3-pentanone	3034.07
furfural	3476.29
n-dodecane	196.68
diethylene glycol	1883.02
diisopropyl ether	2342.89
tert-amyl alcohol	6662.31
acetylacetone	4203.22
n-hexadecane	230.23
acetophenone	1833.04
methyl propionate	3122.21
isopentyl acetate	5654.88
trichloroethylene	8150.82
n-nonanol	1613.05
cyclohexanol	4230.1
benzyl alcohol	1495.04
2-ethylhexanol	2717.41
isooctanol	1680.68
dipropyl ether	3086.09
1,2-dichlorobenzene	2179.77
ethyl lactate	1042.82
propylene carbonate	3196.54
n-methylformamide	2056.57
2-pentanol	4292.89
n-pentane	1040.61
1-propoxy-2-propanol	3864.34
1-methoxy-2-propyl acetate	3607.98
2-(2-methoxypropoxy) propanol	1842.65
mesitylene	972.47
ε-caprolactone	5377.4
p-cymene	930.09
epichlorohydrin	5524.94
1,1,1-trichloroethane	6535.02
2-aminoethanol	1331.54
morpholine-4-carbaldehyde	3502.4
sulfolane	4218.95
2,2,4-trimethylpentane	578.11
2-methyltetrahydrofuran	6212.06
n-hexyl acetate	4064.11
isooctane	502.33
2-(2-butoxyethoxy)ethanol	2736.07
sec-butyl acetate	3290.66
tert-butyl acetate	4348.85
decalin	707.26
glycerin	897.04
diglyme	4552.66
acrylic acid	1809.76
isopropyl myristate	1275.46
n-butyric acid	6161.73
acetyl acetate	2956.21
di(2-ethylhexyl) phthalate	906.16
ethyl propionate	3005.28
nitromethane	4952.11
1,2-diethoxyethane	4544.74
benzonitrile	2560.77
trioctyl phosphate	754.62
1-bromopropane	4310.04
gamma-valerolactone	5838.73
n-decanol	1078.3
triethyl phosphate	910.89
4-methyl-2-pentanol	2446.14
propionitrile	3701.38
vinylene carbonate	2537.8
1,1,2-trichlorotrifluoroethane	3393.69
DMS	1738.92
cumene	965.78
2-octanol	1608.21
2-hexanone	4035.58
octyl acetate	1544.89
limonene	1680.19
1,2-dimethoxyethane	5246.06
ethyl orthosilicate	1060.79
tributyl phosphate	1037.82
diacetone alcohol	3381.78
N,N-dimethylaniline	1305.76
acrylonitrile	3098.09
aniline	1790.03
1,3-propanediol	2431.92
bromobenzene	2746.34
dibromomethane	5513.36
1,1,2,2-tetrachloroethane	7082.79
2-methyl-cyclohexyl acetate	2126.23
tetrabutyl urea	1146.13
diisobutyl methanol	1463.45
2-phenylethanol	1721.34
styrene	1445.22
dioctyl adipate	1486.67
dimethyl sulfate	1067.29
ethyl butyrate	3304.61
methyl lactate	986.06
butyl lactate	1855.03
diethyl carbonate	1702.11
propanediol butyl ether	2203.5
triethyl orthoformate	1922.06
p-tert-butyltoluene	886.67
methyl 4-tert-butylbenzoate	1562.22
morpholine	6032.36
tert-butylamine	5424.55
n-dodecanol	767.55
dimethoxymethane	2586.36
ethylene carbonate	2404.18
cyrene	1239.87
2-ethoxyethyl acetate	3001.02
2-ethylhexyl acetate	4117.57
1,2,4-trichlorobenzene	2345.35
4-methylpyridine	4312.43
dibutyl ether	3133.36
2,6-dimethyl-4-heptanol	1463.45
DEF	4463.98
dimethyl isosorbide	2676.4
tetrachloroethylene	4613.2
eugenol	1421.53
triacetin	2084.12
span 80	1858.45
1,4-butanediol	1136.42
1,1-dichloroethane	6948.45
2-methyl-1-pentanol	3347.05
methyl formate	1459.6
2-methyl-1-butanol	4360.09
n-decane	404.57
butyronitrile	5228.32
3,7-dimethyl-1-octanol	2078.16
1-chlorooctane	1561.68
1-chlorotetradecane	494.82
n-nonane	453.53
undecane	267.1
tert-butylcyclohexane	763.35
cyclooctane	445.96
cyclopentanol	3543.62
tetrahydropyran	6958.09
tert-amyl methyl ether	4813.21
2,5,8-trioxanonane	2566.66
1-hexene	4274.63
2-isopropoxyethanol	2693.72
2,2,2-trifluoroethanol	966.21
methyl butyrate	4527.46

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