Chemical Properties of Heptanoic acid, butyl ester (CAS 5454-28-4)

Heptanoic acid, butyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChI Key
YPQSPODHFDGVAC-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCC(=O)OCCCC
Molecular Weight1
186.29
CAS
5454-28-4
Other Names
  • Butyl heptanoate
  • n-Butyl heptanoate
  • n-Butyl n-heptanoate
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 -192.18 kJ/mol Joback Calculated Property
Δfgas -515.17 kJ/mol Joback Calculated Property
Δfus 27.03 kJ/mol Joback Calculated Property
Δvap 49.24 kJ/mol Joback Calculated Property
log10WS -3.29 Crippen Calculated Property
logPoct/wat 3.300 Crippen Calculated Property
McVol 173.290 ml/mol McGowan Calculated Property
Pc 2014.51 kPa Joback Calculated Property
Inp [1271.00; 1276.00]   Show Hide
Inp 1271.00 NIST
Inp 1276.00 NIST
Inp 1276.00 NIST
Inp 1276.00 NIST
I [1500.00; 1533.00]   Show Hide
I 1517.00 NIST
I 1514.00 NIST
I 1500.00 NIST
I 1533.00 NIST
I 1500.00 NIST
Tboil [498.30; 499.33] K Show Hide
Tboil 499.33 ± 0.30 K NIST
Tboil 498.30 ± 2.00 K NIST
Tc 698.36 K Joback Calculated Property
Tfus [204.80; 205.70] K Show Hide
Tfus 205.70 ± 0.80 K NIST
Tfus 204.80 ± 0.50 K NIST
Vc 0.675 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [415.24; 496.57] J/mol×K [527.37; 698.36] Show Hide
Cp,gas 415.24 J/mol×K 527.37 Joback Calculated Property
Cp,gas 430.19 J/mol×K 555.87 Joback Calculated Property
Cp,gas 444.58 J/mol×K 584.37 Joback Calculated Property
Cp,gas 458.41 J/mol×K 612.87 Joback Calculated Property
Cp,gas 471.67 J/mol×K 641.36 Joback Calculated Property
Cp,gas 484.39 J/mol×K 669.86 Joback Calculated Property
Cp,gas 496.57 J/mol×K 698.36 Joback Calculated Property
η [0.0002056; 0.0032030] Pa×s [285.89; 527.37] Show Hide
η 0.0032030 Pa×s 285.89 Joback Calculated Property
η 0.0015281 Pa×s 326.14 Joback Calculated Property
η 0.0008577 Pa×s 366.38 Joback Calculated Property
η 0.0005398 Pa×s 406.63 Joback Calculated Property
η 0.0003692 Pa×s 446.88 Joback Calculated Property
η 0.0002689 Pa×s 487.12 Joback Calculated Property
η 0.0002056 Pa×s 527.37 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [376.48; 521.98] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55498e+01
Coefficient B-4.52539e+03
Coefficient C-7.99690e+01
Temperature range, min.376.48
Temperature range, max.521.98
Pvap 1.33 kPa 376.48 Calculated Property
Pvap 2.94 kPa 392.65 Calculated Property
Pvap 5.98 kPa 408.81 Calculated Property
Pvap 11.39 kPa 424.98 Calculated Property
Pvap 20.50 kPa 441.15 Calculated Property
Pvap 35.06 kPa 457.31 Calculated Property
Pvap 57.38 kPa 473.48 Calculated Property
Pvap 90.34 kPa 489.65 Calculated Property
Pvap 137.40 kPa 505.81 Calculated Property
Pvap 202.67 kPa 521.98 Calculated Property

Similar Compounds

butyl heptanoate-d13. Octadecanoic acid, butyl ester. butyl triacontanoate. butyl hexacosanoate. Butyl myristate. butyl pentacosanoate. Nonanoic acid, butyl ester. Butyl nonadecanoate. Butyl behenoate. Pentadecanoic acid, butyl ester. n-Butyl n-undecanoate. butyl dotriacontanoate. Butyl heptadecanoate. butyl heptacosanoate. n-Butyl laurate.

Find more compounds similar to Heptanoic acid, butyl 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.