Chemical Properties of Isophthalic acid, isohexyl tridec-2-ynyl ester

Isophthalic acid, isohexyl tridec-2-ynyl ester

InChI
InChI=1S/C27H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-30-26(28)24-18-15-19-25(22-24)27(29)31-21-16-17-23(2)3/h15,18-19,22-23H,4-12,16-17,20-21H2,1-3H3
InChI Key
PVYMYZRUBTUZDZ-UHFFFAOYSA-N
Formula
C27H40O4
SMILES
CCCCCCCCCCC#CCOC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
428.61
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
ω 1.1253 Relay (1.0) Calculated Property
ΔfusH° 67.68 kJ/mol Joback Calculated Property
log10WS -7.81 Relay (1.0) Calculated Property
logPoct/wat 6.971 Crippen Calculated Property
McVol 373.810 ml/mol McGowan Calculated Property
Pc 909.43 kPa Joback Calculated Property
Inp [3234.00; 3234.00]   Show Hide
Inp 3234.00 NIST
Inp 3234.00 NIST
Tboil 679.49 K Relay (1.0) Calculated Property
Tc 897.88 K Relay (1.0) Calculated Property
Tfus 289.37 K Relay (1.0) Calculated Property
Vc 1.367 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1234.51; 1309.90] J/mol×K [974.02; 1192.87] Show Hide
Cp,gas 1234.51 J/mol×K 974.02 Joback Calculated Property
Cp,gas 1250.90 J/mol×K 1010.50 Joback Calculated Property
Cp,gas 1265.69 J/mol×K 1046.97 Joback Calculated Property
Cp,gas 1278.94 J/mol×K 1083.45 Joback Calculated Property
Cp,gas 1290.69 J/mol×K 1119.92 Joback Calculated Property
Cp,gas 1300.99 J/mol×K 1156.40 Joback Calculated Property
Cp,gas 1309.90 J/mol×K 1192.87 Joback Calculated Property

Similar Compounds

Isophthalic acid, hexyl tridec-2-ynyl ester. Isophthalic acid, heptyl tridec-2-ynyl ester. Isophthalic acid, octyl tridec-2-ynyl ester. Isophthalic acid, nonyl tridec-2-ynyl ester. Isophthalic acid, pentyl tridec-2-ynyl ester. Isophthalic acid, butyl tridec-2-ynyl ester. Isophthalic acid, propyl tridec-2-ynyl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, cyclopentylmethyl hexadecyl ester. Isophthalic acid, cyclopentylmethyl dodecyl ester. Isophthalic acid, cyclopentylmethyl tetradecyl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester.

Find more compounds similar to Isophthalic acid, isohexyl tridec-2-ynyl 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.