Chemical Properties of Hexanoic acid, 2-methylpropyl ester (CAS 105-79-3)

Hexanoic acid, 2-methylpropyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChI Key
UXUPPWPIGVTVQI-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CCCCCC(=O)OCC(C)C
Molecular Weight1
172.26
CAS
105-79-3
Other Names
  • 2-Methylpropyl hexanoate
  • Hexanoic acid, isobutyl ester
  • Isobutyl caproate
  • Isobutyl hexanoate
  • iso-Butyl n-hexanoate
  • n-Caproic acid isobutyl ester
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -203.04 kJ/mol Joback Calculated Property
Δfgas -499.81 kJ/mol Joback Calculated Property
Δfus 20.92 kJ/mol Joback Calculated Property
Δvap 46.62 kJ/mol Joback Calculated Property
log10WS -2.63 Crippen Calculated Property
logPoct/wat 2.766 Crippen Calculated Property
McVol 159.200 ml/mol McGowan Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Inp [1119.00; 1156.00]   Show Hide
Inp 1135.00 NIST
Inp 1131.00 NIST
Inp 1144.00 NIST
Inp 1133.00 NIST
Inp 1138.00 NIST
Inp 1138.00 NIST
Inp 1138.00 NIST
Inp 1139.00 NIST
Inp 1152.00 NIST
Inp 1140.00 NIST
Inp 1136.00 NIST
Inp 1137.00 NIST
Inp 1149.00 NIST
Inp 1149.00 NIST
Inp 1149.00 NIST
Inp 1144.00 NIST
Inp 1144.00 NIST
Inp 1153.00 NIST
Inp 1148.00 NIST
Inp 1133.00 NIST
Inp 1150.00 NIST
Inp 1154.00 NIST
Inp 1150.00 NIST
Inp 1140.00 NIST
Inp 1140.00 NIST
Inp 1144.00 NIST
Inp 1152.00 NIST
Inp 1156.00 NIST
Inp 1153.00 NIST
Inp Outlier 1119.00 NIST
Inp 1140.00 NIST
Inp 1143.00 NIST
Inp 1148.00 NIST
Inp 1144.00 NIST
Inp 1139.00 NIST
I [1343.00; 1399.00]   Show Hide
I 1347.00 NIST
I 1351.00 NIST
I 1347.00 NIST
I 1356.00 NIST
I 1347.00 NIST
I 1343.00 NIST
I 1346.00 NIST
I 1347.00 NIST
I 1353.00 NIST
I 1356.00 NIST
I 1373.00 NIST
I 1355.00 NIST
I 1353.00 NIST
I 1353.00 NIST
I 1357.00 NIST
I 1346.00 NIST
I 1350.00 NIST
I 1346.00 NIST
I 1350.00 NIST
I Outlier 1399.00 NIST
I 1348.00 NIST
I 1350.00 NIST
I 1347.00 NIST
Tboil 504.05 K Joback Calculated Property
Tc 679.81 K Joback Calculated Property
Tfus 259.62 K Joback Calculated Property
Vc 0.614 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [368.31; 447.14] J/mol×K [504.05; 679.81] Show Hide
Cp,gas 368.31 J/mol×K 504.05 Joback Calculated Property
Cp,gas 382.82 J/mol×K 533.34 Joback Calculated Property
Cp,gas 396.77 J/mol×K 562.64 Joback Calculated Property
Cp,gas 410.17 J/mol×K 591.93 Joback Calculated Property
Cp,gas 423.03 J/mol×K 621.22 Joback Calculated Property
Cp,gas 435.35 J/mol×K 650.52 Joback Calculated Property
Cp,gas 447.14 J/mol×K 679.81 Joback Calculated Property
η [0.0002109; 0.0046674] Pa×s [259.62; 504.05] Show Hide
η 0.0046674 Pa×s 259.62 Joback Calculated Property
η 0.0019627 Pa×s 300.36 Joback Calculated Property
η 0.0010151 Pa×s 341.10 Joback Calculated Property
η 0.0006043 Pa×s 381.84 Joback Calculated Property
η 0.0003976 Pa×s 422.57 Joback Calculated Property
η 0.0002816 Pa×s 463.31 Joback Calculated Property
η 0.0002109 Pa×s 504.05 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [318.64; 516.82] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.18714e+01
Coefficient B-2.99753e+03
Coefficient C-5.98700e+01
Temperature range, min.318.64
Temperature range, max.516.82
Pvap 1.33 kPa 318.64 Calculated Property
Pvap 3.31 kPa 340.66 Calculated Property
Pvap 7.19 kPa 362.68 Calculated Property
Pvap 14.06 kPa 384.70 Calculated Property
Pvap 25.26 kPa 406.72 Calculated Property
Pvap 42.31 kPa 428.74 Calculated Property
Pvap 66.88 kPa 450.76 Calculated Property
Pvap 100.67 kPa 472.78 Calculated Property
Pvap 145.38 kPa 494.80 Calculated Property
Pvap 202.65 kPa 516.82 Calculated Property

Similar Compounds

Heptanoic acid, 2-methylpropyl ester. Heneicosanoic acid, isobutyl ester. n-Capric acid isobutyl ester. Nonanoic acid, 2-methylpropyl ester. Undecanoic acid, isobutyl ester. Octadecanoic acid, 2-methylpropyl ester. Isobutyl laurate. Myristic acid isobutyl ester. Tridecanoic acid, isobutyl ester. Eicosanoic acid, isobutyl ester. Isobutyl nonadecanoate. Isobutyl pentadecanoate. Heptadecanoic acid, isobutyl ester. n-Caprylic acid isobutyl ester. Docosanoic acid, isobutyl ester.

Find more compounds similar to Hexanoic acid, 2-methylpropyl ester.

Sources

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.