Chemical Properties of 2,4-Dimethylpentan-3-yl 3-chlorobenzoate

2,4-Dimethylpentan-3-yl 3-chlorobenzoate

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InChI
InChI=1S/C14H19ClO2/c1-9(2)13(10(3)4)17-14(16)11-6-5-7-12(15)8-11/h5-10,13H,1-4H3
InChI Key
NVRCYPVMPDPSNP-UHFFFAOYSA-N
Formula
C14H19ClO2
SMILES
CC(C)C(OC(=O)c1cccc(Cl)c1)C(C)C
Molecular Weight1
254.75
Sources

Physical Properties

Property Value Unit Source
Δf -83.39 kJ/mol Joback Calculated Property
Δfgas -383.61 kJ/mol Joback Calculated Property
Δfus 22.08 kJ/mol Joback Calculated Property
Δvap 62.07 kJ/mol Joback Calculated Property
logPoct/wat 4.18 Crippen Calculated Property
Pc 2041.91 kPa Joback Calculated Property
Tboil 663.78 K Joback Calculated Property
Tc 880.10 K Joback Calculated Property
Tfus 343.56 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 524.31 J/mol×K 663.78 Joback Calculated Property
η 0.00 Pa×s 663.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH3 4

Similar Compounds

3-Methylbutan-2-yl 3-chlorobenzoate. 3,3-Dimethylbutan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, 1-methylpropyl ester. 3-Methylpentan-3-yl 3-chlorobenzoate. Hexan-3-yl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-pentyl ester. Isobutyl 3-chlorobenzoate. 4-Methylpentan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester. 3-Chlorobenzoic acid, neopentyl ester. Hexan-2-yl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-methylbutyl ester. 3-Chlorobenzoic acid, cyclohexyl ester. 2-Methylpentyl 3-chlorobenzoate. Decan-2-yl 3-chlorobenzoate.

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