Chemical Properties of Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester

Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester

InChI
InChI=1S/C22H30O4/c1-5-7-9-14-25-21(23)18-11-10-12-19(16-18)22(24)26-20(13-8-6-2)15-17(3)4/h10-12,16-17,20H,5-7,9,14-15H2,1-4H3
InChI Key
OKWYTSNPMYGYRL-UHFFFAOYSA-N
Formula
C22H30O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCCC)c1
Molecular Weight1
358.47
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 0.8676 Relay (1.0) Calculated Property
ΔfusH° 48.04 kJ/mol Joback Calculated Property
log10WS -5.97 Relay (1.0) Calculated Property
logPoct/wat 5.018 Crippen Calculated Property
McVol 303.360 ml/mol McGowan Calculated Property
Pc 1326.17 kPa Joback Calculated Property
Inp [2564.00; 2564.00]   Show Hide
Inp 2564.00 NIST
Inp 2564.00 NIST
Tboil 634.56 K Relay (1.0) Calculated Property
Tc 846.74 K Relay (1.0) Calculated Property
Tfus 279.49 K Relay (1.0) Calculated Property
Vc 1.086 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 [944.99; 1021.31] J/mol×K [895.12; 1110.84] Show Hide
Cp,gas 944.99 J/mol×K 895.12 Joback Calculated Property
Cp,gas 960.90 J/mol×K 931.07 Joback Calculated Property
Cp,gas 975.50 J/mol×K 967.03 Joback Calculated Property
Cp,gas 988.81 J/mol×K 1002.98 Joback Calculated Property
Cp,gas 1000.87 J/mol×K 1038.94 Joback Calculated Property
Cp,gas 1011.69 J/mol×K 1074.89 Joback Calculated Property
Cp,gas 1021.31 J/mol×K 1110.84 Joback Calculated Property

Similar Compounds

Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester.

Find more compounds similar to Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl 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.