Chemical Properties of Ethyl 2,6-dimethylbenzoate (CAS 36596-67-5)

Ethyl 2,6-dimethylbenzoate

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InChI
InChI=1S/C11H14O2/c1-4-13-11(12)10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3
InChI Key
NBBSIMLSNFENNF-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCOC(=O)c1c(C)cccc1C
Molecular Weight1
178.23
CAS
36596-67-5
Sources

Physical Properties

Property Value Unit Source
Δf -99.03 kJ/mol Joback Calculated Property
Δfgas -301.58 kJ/mol Joback Calculated Property
Δfus 20.30 kJ/mol Joback Calculated Property
Δvap 52.84 kJ/mol Joback Calculated Property
logPoct/wat 2.48 Crippen Calculated Property
Pc 2693.00 kPa Joback Calculated Property
Tboil 564.01 K Joback Calculated Property
Tc 775.37 K Joback Calculated Property
Tfus 337.35 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 345.82 J/mol×K 564.01 Joback Calculated Property
η 0.00 Pa×s 564.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
-CH3 3

Similar Compounds

Ethyl-2,4,6-trimethylbenzoate. 2,6-(CH3)2-C6H3-COOCH3. Ethyl o-methylbenzoate. Ethyl 2,4-dimethylbenzoate. Benzoic acid, 2,4,6-trimethyl-, methyl ester. Benzoic acid,2-methyl, (2-methylpropyl)ester. O-toluic acid, 3-chloropen-2-enyl ester. Benzoic acid, 2-methyl-, methyl ester. O-toluic acid, 3-methylbut-2-enyl ester. O-toluic acid, pentyl ester. Phthalic acid, monoethyl ester. 2,4-(CH3)2-C6H3-COOCH3. 1,2-Benzenedicarboxylic acid, ethyl methyl ester. Diethyl phthalate. O-toluic acid, hexyl ester.

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