Chemical Properties of Propanoic acid, 2-methyl-, 3-methylbutyl ester (CAS 2050-01-3)

Propanoic acid, 2-methyl-, 3-methylbutyl ester

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InChI
InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChI Key
VFTGLSWXJMRZNB-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CC(C)CCOC(=O)C(C)C
Molecular Weight1
158.24
CAS
2050-01-3
Other Names
  • 3-methyl-1-butyl isobutyrate
  • 3-methylbutyl 2-methylpropanoate
  • 3-methylbutyl isobutyrate
  • Isoamyl 2-methylpropanoate
  • Isoamyl isobutanoate
  • Isopentyl alcohol, isobutyrate
  • Isopentyl isobutanoate
  • iso-Amyl iso-butyrate
  • isoamyl isobutyrate
  • isobutyric acid, isopentyl ester
  • isopentyl isobutyrate
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Physical Properties

Property Value Unit Source
Δf -213.90 kJ/mol Joback Calculated Property
Δfgas -484.45 kJ/mol Joback Calculated Property
Δfus 14.81 kJ/mol Joback Calculated Property
Δvap 44.01 kJ/mol Joback Calculated Property
log10WS -1.97 Crippen Calculated Property
logPoct/wat 2.232 Crippen Calculated Property
McVol 145.110 ml/mol McGowan Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Inp [992.00; 1021.00]   Show Hide
Inp 994.00 NIST
Inp 998.00 NIST
Inp 998.00 NIST
Inp 1000.00 NIST
Inp 994.00 NIST
Inp 996.00 NIST
Inp 1020.00 NIST
Inp 1021.00 NIST
Inp 1013.40 NIST
Inp 996.00 NIST
Inp 1014.00 NIST
Inp 1015.00 NIST
Inp 1018.00 NIST
Inp 995.00 NIST
Inp 998.00 NIST
Inp 1021.00 NIST
Inp 1018.30 NIST
Inp 995.00 NIST
Inp 1013.00 NIST
Inp 1017.00 NIST
Inp 994.00 NIST
Inp 998.00 NIST
Inp 997.00 NIST
Inp 1014.00 NIST
Inp 1014.00 NIST
Inp 1007.00 NIST
Inp 994.00 NIST
Inp 1011.00 NIST
Inp 1019.00 NIST
Inp 997.00 NIST
Inp 992.00 NIST
Inp 1014.00 NIST
Inp 1021.00 NIST
Inp 994.00 NIST
I [1183.00; 1234.00]   Show Hide
I 1190.00 NIST
I 1214.00 NIST
I 1187.00 NIST
I 1195.00 NIST
I 1194.00 NIST
I 1183.00 NIST
I Outlier 1234.00 NIST
I 1183.00 NIST
I 1187.00 NIST
I 1195.00 NIST
I 1187.00 NIST
I 1195.00 NIST
Tboil [442.10; 442.95] K Show Hide
Tboil 442.95 ± 0.30 K NIST
Tboil 442.10 ± 0.50 K NIST
Tc 661.81 K Joback Calculated Property
Tfus 233.35 K Joback Calculated Property
Vc 0.551 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [323.22; 399.06] J/mol×K [480.73; 661.81] Show Hide
Cp,gas 323.22 J/mol×K 480.73 Joback Calculated Property
Cp,gas 337.19 J/mol×K 510.91 Joback Calculated Property
Cp,gas 350.61 J/mol×K 541.09 Joback Calculated Property
Cp,gas 363.51 J/mol×K 571.27 Joback Calculated Property
Cp,gas 375.88 J/mol×K 601.45 Joback Calculated Property
Cp,gas 387.73 J/mol×K 631.63 Joback Calculated Property
Cp,gas 399.06 J/mol×K 661.81 Joback Calculated Property
η [0.0002156; 0.0073761] Pa×s [233.35; 480.73] Show Hide
η 0.0073761 Pa×s 233.35 Joback Calculated Property
η 0.0026314 Pa×s 274.58 Joback Calculated Property
η 0.0012286 Pa×s 315.81 Joback Calculated Property
η 0.0006840 Pa×s 357.04 Joback Calculated Property
η 0.0004299 Pa×s 398.27 Joback Calculated Property
η 0.0002948 Pa×s 439.50 Joback Calculated Property
η 0.0002156 Pa×s 480.73 Joback Calculated Property
ΔvapH [47.40; 51.70] kJ/mol [298.15; 364.50] Show Hide
ΔvapH 51.70 kJ/mol 298.15 Vapor p...
ΔvapH 47.40 kJ/mol 364.50 NIST

Similar Compounds

1-Butanol, 3-methyl-, propanoate. Butanoic acid, 2-methyl-, 3-methylbutyl ester. Propanoic acid, 2-methyl-, butyl ester. Butanoic acid, 3-methylbutyl ester. 1-Butanol, 3-methyl-, acetate. Isobutyric acid, 4-methoxy-2-methylbutyl ester. butyl 2-methylbutanoate-d-9. butyl 2-methylbutanoate-d-3. butyl-d3 2-methylbutanoate. Butyl 2-methylbutanoate. Succinic acid, di(3-methylbutyl) ester. Butanoic acid, 3-methyl-, 3-methylbutyl ester. Succinic acid, isobutyl 3-methylbutyl ester. Propanoic acid, 2-methyl-, 2-methylbutyl ester. 4-methylpentyl isobutyrate.

Find more compounds similar to Propanoic acid, 2-methyl-, 3-methylbutyl ester.

Sources

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