Chemical Properties of Methyl isobutyrate (CAS 547-63-7)

Methyl isobutyrate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChI Key
BHIWKHZACMWKOJ-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
COC(=O)C(C)C
Molecular Weight1
102.13
CAS
547-63-7
Other Names
  • (CH3)2CHC(O)OCH3
  • Isobutyric acid, methyl ester
  • Methyl 2-methylpropanoate
  • Methyl 2-methylpropionate
  • Methyl isobutanoate
  • Methyl methylpropanoate
  • Methylester kyseliny isomaselne
  • NSC 126780
  • Propanoic acid, 2-methyl-, methyl ester
Sources

Physical Properties

Property Value Unit Source
PAff 836.60 kJ/mol NIST
BasG 805.70 kJ/mol NIST
Δf -245.14 kJ/mol Joback Calculated Property
Δfgas -396.61 kJ/mol Joback Calculated Property
Δfus 7.97 kJ/mol Joback Calculated Property
Δvap 37.42 kJ/mol NIST
Δvap 33.40 ± 0.02 kJ/mol NIST
IE 9.86 eV NIST
IE 9.98 ± 0.02 eV NIST
logPoct/wat 0.82 Crippen Calculated Property
Pc 3432.00 ± 81.06 kPa NIST
Pc 3430.40 ± 40.00 kPa NIST
Tboil [355.70; 384.55] K Show Hide
Tboil 363.20 K NIST
Tboil 365.50 K NIST
Tboil 365.60 K NIST
Tboil 372.15 ± 1.00 K NIST
Tboil 365.15 ± 2.00 K NIST
Tboil 367.00 ± 2.00 K NIST
Tboil 355.70 ± 0.50 K NIST
Tboil 365.45 ± 1.00 K NIST
Tboil 365.50 ± 0.50 K NIST
Tboil 365.45 ± 1.00 K NIST
Tboil 365.70 ± 0.30 K NIST
Tboil 364.95 ± 2.00 K NIST
Tboil Outlier 384.55 ± 1.00 K NIST
Tboil 365.45 ± 1.00 K NIST
Tboil 365.00 ± 1.00 K NIST
Tboil 365.55 ± 1.00 K NIST
Tboil 365.45 ± 1.00 K NIST
Tc 540.70 ± 1.00 K NIST
Tc 540.70 ± 1.00 K NIST
Tc 546.80 ± 6.00 K NIST
Tfus 187.15 ± 1.50 K NIST
Tfus 188.50 ± 0.25 K NIST
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 163.44 J/mol×K 389.65 Joback Calculated Property
η 0.00 Pa×s 389.65 Joback Calculated Property
ΔvapH 40.10 kJ/mol 302.5 NIST
ΔvapH 32.61 kJ/mol 365.6 NIST
ΔvapH 33.70 kJ/mol 449.5 NIST

Molecular Descriptors

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

Similar Compounds

Propanoic acid, 2,2-dimethyl-, methyl ester. Propanoic acid, 2-methyl-, ethyl ester. Propanoic acid, methyl ester. Isobutyric acid, vinyl ester. Methyl L-(+)-«beta»-hydroxyisobutyrate. Methyl (R)-(-)-3-hydroxy-2-methyl-propionate. Propanoic acid, 3-hydroxy-2-methyl-, methyl ester. N-Propyl iso-butyrate. Propanoic acid, ethyl ester. Butanoic acid, 2-methyl-, methyl ester. Propanoic acid, 2,2-dimethyl-, ethyl ester. Butanoic acid, 2-methyl-, methyl ester. Potassium 2-methylpropanoate. iPrCO2 anion. Propanoic acid, 2-methyl-.

Find more compounds similar to Methyl isobutyrate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.