Chemical Properties of Isobutyl acetate (CAS 110-19-0)

Isobutyl acetate

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InChI
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI Key
GJRQTCIYDGXPES-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(=O)OCC(C)C
Molecular Weight1
116.16
CAS
110-19-0
Other Names
  • 2-Methyl-1-propanol, acetate
  • 2-Methyl-1-propyl acetate
  • 2-Methylpropyl acetate
  • 2-Methylpropyl ethanoate
  • Acetate d'isobutyle
  • Acetic acid, 2-methylpropyl ester
  • Acetic acid, isobutyl ester
  • Isobutyl acetate fcc
  • Isobutyl ethanoate
  • Isobutylester kyseliny octove
  • NSC 8035
  • UN 1213
  • i-Butyl acetate
  • «beta»-Methylpropyl ethanoate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3534.00 kJ/mol NIST
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 35.90 ± 0.04 kJ/mol NIST
IE 9.97 eV NIST
logPoct/wat 1.21 Crippen Calculated Property
Pc 3010.00 ± 20.00 kPa NIST
Pc 3180.00 ± 60.79 kPa NIST
Tboil [385.15; 391.15] K Show Hide
Tboil 389.20 ± 1.50 K NIST
Tboil 390.40 K NIST
Tboil 390.00 K NIST
Tboil 390.20 ± 0.50 K NIST
Tboil 389.00 ± 3.00 K NIST
Tboil 390.45 K NIST
Tboil 390.30 ± 1.50 K NIST
Tboil 387.90 ± 2.00 K NIST
Tboil 390.25 ± 2.00 K NIST
Tboil 390.60 ± 0.50 K NIST
Tboil 390.55 ± 0.50 K NIST
Tboil 390.00 ± 2.00 K NIST
Tboil 389.25 ± 2.00 K NIST
Tboil 390.35 ± 2.00 K NIST
Tboil 390.40 ± 0.50 K NIST
Tboil 389.40 ± 2.00 K NIST
Tboil 390.40 ± 0.40 K NIST
Tboil 390.40 ± 0.50 K NIST
Tboil 389.65 ± 2.00 K NIST
Tboil 388.85 ± 2.00 K NIST
Tboil 391.15 ± 2.00 K NIST
Tboil 388.90 ± 1.00 K NIST
Tboil 390.00 ± 2.00 K NIST
Tboil 388.90 ± 1.50 K NIST
Tboil 390.55 ± 2.00 K NIST
Tboil Outlier 385.15 ± 2.00 K NIST
Tboil 390.15 ± 1.00 K NIST
Tc 560.80 ± 0.60 K NIST
Tc 561.50 ± 2.00 K NIST
Tc 569.00 ± 5.00 K NIST
Tfus 176.05 K NIST
Tfus 176.10 ± 0.60 K NIST
Tfus 240.15 ± 0.50 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
Cp,liquid 240.20 J/mol×K 290.0 NIST
η 0.00 Pa×s 412.53 Joback Calculated Property
ΔvapH 39.80 kJ/mol 321.5 NIST
ΔvapH 39.90 kJ/mol 349.5 NIST
ΔvapH 39.20 kJ/mol 359.0 NIST

Molecular Descriptors

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

Similar Compounds

1-Propanol, 2,2-dimethyl-, acetate. Propanoic acid, 2-methylpropyl ester. Acetic acid, propyl ester. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Acetic acid, chloro-, isobutyl ester. 1-Butanol, 2-methyl-, acetate. Isobutyl iodoacetate. 2-Propenoic acid, 2-methylpropyl ester. 3-Mercapto-2-methylpropylacetate. 3-Sulfanyl-2-methylpropyl acetate. Acetic acid, bromo-, 2-methylpropyl ester. 3-mercapto-2-methylpropyl- acetate. 2-Methyl-3-butenyl acetate. N-Propyl iso-butyrate. 1,3-Propanediol, 2-methyl-, diacetate.

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