Chemical Properties of Butanoic acid, 3-methyl- (CAS 503-74-2)

Butanoic acid, 3-methyl-

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InChI
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key
GWYFCOCPABKNJV-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(C)CC(=O)O
Molecular Weight1
102.13
CAS
503-74-2
Other Names
  • 3-Methyl-n-butyric acid
  • 3-Methylbutanoic acid
  • 3-Methylbutyric acid
  • 3-methylbutanoic acid (isovaleric acid)
  • Acetic acid, isopropyl-
  • Butyric acid, 3-methyl-
  • Delphinic acid
  • Isobutylformic acid
  • Isopentanoic acid
  • Isopropylacetic acid
  • Isovalerianic acid
  • Isovaleric acid
  • Kyselina isovalerova
  • Methylbutanoic acid
  • NSC 62783
  • iso-C4H9COOH
  • «beta»-Methylbutyric acid
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2835.10 ± 5.90 kJ/mol NIST
Δf -276.96 kJ/mol Joback Calculated Property
Δfgas -502.50 ± 6.60 kJ/mol NIST
Δfliquid -561.60 ± 5.90 kJ/mol NIST
Δfus 10.87 kJ/mol Joback Calculated Property
Δvap [46.91; 61.20] kJ/mol Show Hide
Δvap 61.20 ± 0.30 kJ/mol NIST
Δvap 57.50 ± 3.00 kJ/mol NIST
Δvap 58.00 ± 3.00 kJ/mol NIST
Δvap 46.91 ± 0.18 kJ/mol NIST
IE 10.51 eV NIST
logPoct/wat 1.117 Crippen Calculated Property
Pc 3400.00 ± 25.00 kPa NIST
Tboil [444.65; 450.15] K Show Hide
Tboil 449.70 K NIST
Tboil 449.85 ± 0.50 K NIST
Tboil 448.90 ± 2.00 K NIST
Tboil 449.85 ± 1.00 K NIST
Tboil 447.15 ± 2.00 K NIST
Tboil 450.15 ± 1.00 K NIST
Tboil 449.40 ± 0.50 K NIST
Tboil 449.65 ± 1.00 K NIST
Tboil 449.70 ± 0.60 K NIST
Tboil Outlier 445.15 ± 3.00 K NIST
Tboil 449.65 ± 0.30 K NIST
Tboil 448.45 ± 1.50 K NIST
Tboil 449.65 ± 0.20 K NIST
Tboil 447.15 ± 3.00 K NIST
Tboil 447.65 ± 3.00 K NIST
Tboil 449.30 ± 1.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil 449.85 ± 0.50 K NIST
Tboil 448.15 ± 3.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil Outlier 444.65 ± 4.00 K NIST
Tboil 446.85 ± 3.00 K NIST
Tboil 446.40 ± 1.50 K NIST
Tboil 448.15 ± 3.00 K NIST
Tc 629.00 ± 1.00 K NIST
Tc 633.83 ± 6.00 K NIST
Tfus [235.15; 243.85] K Show Hide
Tfus 243.85 ± 0.40 K NIST
Tfus 243.00 ± 2.00 K NIST
Tfus 243.15 ± 0.40 K NIST
Tfus 235.15 ± 0.50 K NIST
Vc 0.335 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 183.94 J/mol×K 459.41 Joback Calculated Property
Cp,liquid 197.10 J/mol×K 298.0 NIST
η 0.0002313 Pa×s 459.41 Joback Calculated Property
ΔvapH [45.90; 60.70] kJ/mol [308.00; 422.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 60.70 ± 0.30 kJ/mol 308.0 NIST
ΔvapH 45.90 kJ/mol 368.5 NIST
ΔvapH 56.60 kJ/mol 377.5 NIST
ΔvapH 55.80 kJ/mol 414.0 NIST
ΔvapH 53.80 kJ/mol 422.0 NIST

Molecular Descriptors

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

Similar Compounds

Butanoic acid, 3,3-dimethyl-. Lithium butyrate. Butanoic acid. Butanoic acid, sodium salt. potassium butyrate. Pentanoic acid, 3-methyl-. 2,3-methylbutanoic acid. Butanoic acid, 3-methyl-, methyl ester. Butanoic acid, 2-methyl-. Butanoic acid, 2-methyl-. Butanoic acid, 2-methyl-, (2S)-. 4-Hydroxybutyric acid. Pentanoic acid. Lithium n-pentanoate. Butanoic acid, 3-hydroxy-3-methyl-.

Find more compounds similar to Butanoic acid, 3-methyl-.

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