Chemical Properties of 2-Heptenoic acid, oct-3-en-2-yl ester

2-Heptenoic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C15H26O2/c1-4-6-8-10-12-14(3)17-15(16)13-11-9-7-5-2/h10-14H,4-9H2,1-3H3/b12-10+,13-11+
InChI Key
ZRGIQNZDTIXKDU-DCIPZJNNSA-N
Formula
C15H26O2
SMILES
CCCCC=CC(=O)OC(C)C=CCCCC
Molecular Weight1
238.37
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
ΔfusH° 35.86 kJ/mol Joback Calculated Property
logPoct/wat 4.411 Crippen Calculated Property
McVol 221.050 ml/mol McGowan Calculated Property
Inp [2113.00; 2113.00]   Show Hide
Inp 2113.00 NIST
Inp 2113.00 NIST
Tboil 504.20 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [311.70; 740.68] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.53840e+01
Coefficient B1.41996e+00
Coefficient C-8.68400e-04
Coefficient D2.04500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 311.70 J/mol×K 273.00 Calculated Property
Cp,gas 387.33 J/mol×K 353.78 Calculated Property
Cp,gas 454.46 J/mol×K 434.56 Calculated Property
Cp,gas 513.74 J/mol×K 515.33 Calculated Property
Cp,gas 565.80 J/mol×K 596.11 Calculated Property
Cp,gas 611.31 J/mol×K 676.89 Calculated Property
Cp,gas 650.91 J/mol×K 757.67 Calculated Property
Cp,gas 685.23 J/mol×K 838.44 Calculated Property
Cp,gas 714.94 J/mol×K 919.22 Calculated Property
Cp,gas 740.68 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0054805; 0.0001215] Pa×s [275.98; 551.82] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.28262e+01
Coefficient B2.10286e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.275.98
Temperature range, max.551.82
η 0.0054805 Pa×s 275.98 Calculated Property
η 0.0025589 Pa×s 306.63 Calculated Property
η 0.0013722 Pa×s 337.28 Calculated Property
η 0.0008163 Pa×s 367.93 Calculated Property
η 0.0005260 Pa×s 398.57 Calculated Property
η 0.0003609 Pa×s 429.22 Calculated Property
η 0.0002604 Pa×s 459.87 Calculated Property
η 0.0001957 Pa×s 490.52 Calculated Property
η 0.0001521 Pa×s 521.17 Calculated Property
η 0.0001215 Pa×s 551.82 Calculated Property

Similar Compounds

3-Methyl-2-butenoic acid, oct-3-en-2-yl ester. (Z)-3-Tridecen-2-yl acetate. (E)-3-Tridecen-2-yl acetate. Oct-3-enoic acid, oct-3-en-2-yl ester. Argentilactone. 2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester. Butanoic acid, oct-3-en-2-yl ester. Hexanoic acid, oct-3-en-2-yl ester. Isopropyl (E)-2-dodecenoate. Isopropyl (Z)-2-dodecenoate. Octanoic acid, oct-3-en-2-yl ester. Sebacic acid, di(oct-3-en-2-yl) ester. Cyclopropanecarboxylic acid, oct-3-en-2-yl ester. 5-Chlorovaleric acid, oct-3-en-2-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl oct-3-en-2-yl ester.

Find more compounds similar to 2-Heptenoic acid, oct-3-en-2-yl 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.
These property values are available through the Cheméo API. A free account gives you an access key.