Chemical Properties of Isophthalic acid, hex-4-yn-3-yl isobutyl ester

Isophthalic acid, hex-4-yn-3-yl isobutyl ester

InChI
InChI=1S/C18H22O4/c1-5-8-16(6-2)22-18(20)15-10-7-9-14(11-15)17(19)21-12-13(3)4/h7,9-11,13,16H,6,12H2,1-4H3
InChI Key
MTVZROXWOUNCBB-UHFFFAOYSA-N
Formula
C18H22O4
SMILES
CC#CC(CC)OC(=O)c1cccc(C(=O)OCC(C)C)c1
Molecular Weight1
302.37
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Physical Properties

Property Value Unit Source
ΔfusH° 40.84 kJ/mol Joback Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 3.458 Crippen Calculated Property
McVol 247.000 ml/mol McGowan Calculated Property
Inp [2235.00; 2235.00]   Show Hide
Inp 2235.00 NIST
Inp 2235.00 NIST
Tboil 611.52 K Relay (1.0) Calculated Property
Tfus 307.13 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [701.90; 778.91] J/mol×K [767.66; 985.18] Show Hide
Cp,gas 701.90 J/mol×K 767.66 Joback Calculated Property
Cp,gas 717.84 J/mol×K 803.91 Joback Calculated Property
Cp,gas 732.51 J/mol×K 840.17 Joback Calculated Property
Cp,gas 745.93 J/mol×K 876.42 Joback Calculated Property
Cp,gas 758.13 J/mol×K 912.67 Joback Calculated Property
Cp,gas 769.11 J/mol×K 948.93 Joback Calculated Property
Cp,gas 778.91 J/mol×K 985.18 Joback Calculated Property

Similar Compounds

Isophthalic acid, hex-4-yn-3-yl propyl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. Isophthalic acid, butyl hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl pentyl ester. Isophthalic acid, hex-4-yn-3-yl hexyl ester. m-Toluic acid, hex-4-yn-3-yl ester. 3-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, but-3-yn-2-yl isobutyl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, hex-4-yn-3-yl ester. 3-Bromobenzoic acid, hex-4-yn-3-yl ester.

Find more compounds similar to Isophthalic acid, hex-4-yn-3-yl isobutyl ester.

Sources

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