Chemical Properties of Propanoic acid, 2-methyl-, ethyl ester (CAS 97-62-1)

Propanoic acid, 2-methyl-, ethyl ester

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InChI
InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
InChI Key
WDAXFOBOLVPGLV-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCOC(=O)C(C)C
Molecular Weight1
116.16
CAS
97-62-1
Other Names
  • 2-Methylpropanoic acid ethyl ester
  • Ethyl 2,2-dimethylacetate
  • Ethyl 2-methylpropanoate
  • Ethyl 2-methylpropionate
  • Ethyl ester of 2-methyl-propanoic acid
  • Ethyl isobutanoate
  • Ethyl isobutyrate
  • Ethyl methylpropanoate
  • Ethyl-2-methylproanoate
  • Isobutyric acid, ethyl ester
  • NSC 97194
  • Propionic acid, 2-methyl-, ethyl ester
  • UN 2385
Sources

Physical Properties

Property Value Unit Source
Δf -236.72 kJ/mol Joback Calculated Property
Δfgas -417.25 kJ/mol Joback Calculated Property
Δfus 10.56 kJ/mol Joback Calculated Property
Δvap [35.60; 39.88] kJ/mol Show Hide
Δvap 39.88 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 35.60 ± 0.04 kJ/mol NIST
logPoct/wat 1.21 Crippen Calculated Property
Pc 3053.00 ± 202.65 kPa NIST
Tboil [382.95; 422.15] K Show Hide
Tboil 385.70 K NIST
Tboil 384.20 K NIST
Tboil 383.30 K NIST
Tboil 383.40 ± 1.00 K NIST
Tboil 383.65 ± 1.00 K NIST
Tboil 383.25 ± 1.00 K NIST
Tboil 383.30 ± 0.50 K NIST
Tboil 383.25 ± 1.00 K NIST
Tboil 384.20 ± 0.30 K NIST
Tboil 383.35 ± 1.00 K NIST
Tboil 383.00 ± 1.00 K NIST
Tboil 382.95 ± 1.00 K NIST
Tboil 383.45 ± 1.00 K NIST
Tboil 383.10 ± 1.50 K NIST
Tboil Outlier 422.15 ± 1.00 K NIST
Tboil 383.15 ± 1.00 K NIST
Tc 553.60 ± 4.00 K NIST
Tfus 175.40 ± 0.30 K NIST
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 199.90 J/mol×K 412.53 Joback Calculated Property
η 0.00 Pa×s 412.53 Joback Calculated Property
ΔvapH 44.10 kJ/mol 321.0 NIST
ΔvapH 33.67 kJ/mol 383.3 NIST
ΔvapH 36.00 kJ/mol 433.0 NIST

Molecular Descriptors

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

Similar Compounds

N-Propyl iso-butyrate. Propanoic acid, 2,2-dimethyl-, ethyl ester. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Methyl isobutyrate. Propanoic acid, 2-methyl-, 1-methylethyl ester. Ethanol, 2-chloro, 2-methylpropanoate. Propanoic acid, 2-methyl, 2-iodoethyl ester. Ethanol, 2-bromo, 2-methylpropyl ester. Propanoic acid, 2-methyl-, 2-propenyl ester. Propanoic acid, ethyl ester. n-Propyl pivalate. Propanoic acid, 2-methyl-, butyl ester. Propanoic acid, 2-methylpropyl ester. Propanoic acid, 2-methyl-, anhydride. 2-Hydroxyethyl-2',2'-dimethylpropionate.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.