Chemical Properties of Butanoic acid, 3-chloro, (E)-3-hexenyl ester

Butanoic acid, 3-chloro, (E)-3-hexenyl ester

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InChI
InChI=1S/C10H17ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChI Key
TZCFURZQKLRBPP-SNAWJCMRSA-N
Formula
C10H17ClO2
SMILES
CCC=CCCOC(=O)CC(C)Cl
Molecular Weight1
204.69
Sources

Physical Properties

Property Value Unit Source
Δf -134.75 kJ/mol Joback Calculated Property
Δfgas -398.33 kJ/mol Joback Calculated Property
Δfus 25.32 kJ/mol Joback Calculated Property
Δvap 50.97 kJ/mol Joback Calculated Property
logPoct/wat 2.90 Crippen Calculated Property
Pc 2248.26 kPa Joback Calculated Property
Tboil 545.64 K Joback Calculated Property
Tc 734.12 K Joback Calculated Property
Tfus 284.46 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 380.20 J/mol×K 545.64 Joback Calculated Property
η 0.00 Pa×s 545.64 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
-CH2- 4
=CH- 2
-CH3 2

Similar Compounds

Butanoic acid, 3-chloro, (Z)-3-hexenyl ester. Butanoic acid, 3-chloro, 3-butenyl ester. Propanoic acid, 3-chloro, (E)-3-hexenyl ester. Propanoic acid, 3-chloro, (Z)-3-hexenyl ester. Butanoic acid, 3-hexenyl ester, (E)-. 3-Hexen-1-ol, butanoate. Butanoic acid, 3-hexenyl ester, (Z)-. Butanoic acid, 4-chloro, (Z)-3-hexenyl ester. Butanoic acid, 4-chloro, (E)-3-hexenyl ester. Propyl 3-chlorobutanoate. trans-3-Heptenyl butanoate. cis-3-Heptenyl butyrate. Butanoic acid, 3-chloro, 4-pentenyl ester. Butyl 3-chlorobutanoate. n-Valeric acid cis-3-hexenyl ester.

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