Chemical Properties of 4-Butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

4-Butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

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InChI
InChI=1S/C21H28O2/c1-6-7-8-18-10-12-19(13-11-18)21(22)23-20(15-17(4)5)14-9-16(2)3/h10-13,17,20H,2,6-8,15H2,1,3-5H3
InChI Key
BYVYECTVTQCHMT-UHFFFAOYSA-N
Formula
C21H28O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(CCCC)cc1
Molecular Weight1
312.45
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Physical Properties

Property Value Unit Source
ΔfG° 272.01 kJ/mol Joback Calculated Property
ΔfH°gas -119.13 kJ/mol Joback Calculated Property
ΔfusH° 40.07 kJ/mol Joback Calculated Property
ΔvapH° 75.22 kJ/mol Joback Calculated Property
log10WS -6.64 Crippen Calculated Property
logPoct/wat 5.180 Crippen Calculated Property
McVol 277.530 ml/mol McGowan Calculated Property
Pc 1425.07 kPa Joback Calculated Property
Inp 2202.60 NIST
Tboil 792.51 K Joback Calculated Property
Tc 1007.83 K Joback Calculated Property
Tfus 497.91 K Joback Calculated Property
Vc 1.060 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [810.81; 902.53] J/mol×K [792.51; 1007.83] Show Hide
Cp,gas 810.81 J/mol×K 792.51 Joback Calculated Property
Cp,gas 828.92 J/mol×K 828.40 Joback Calculated Property
Cp,gas 845.84 J/mol×K 864.28 Joback Calculated Property
Cp,gas 861.61 J/mol×K 900.17 Joback Calculated Property
Cp,gas 876.29 J/mol×K 936.05 Joback Calculated Property
Cp,gas 889.91 J/mol×K 971.94 Joback Calculated Property
Cp,gas 902.53 J/mol×K 1007.83 Joback Calculated Property

Similar Compounds

4-Butylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-Ethoxycarbonyl-17-oxaestra-1,3,5(10)-trien-16-one. Ethyl 2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate. Calacorene oxide. Quinine. Quinidine. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Hydroquinidine. Mandelic acid, «alpha»-cyclopentyl-, 1-methyl-4-piperidyl ester. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester.

Find more compounds similar to 4-Butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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