Chemical Properties of Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI
InChI=1S/C18H21ClO2/c1-13(2)5-10-17(11-14(3)4)21-18(20)12-15-6-8-16(19)9-7-15/h6-9,14,17H,1,11-12H2,2-4H3
InChI Key
VYHJSUIXIQWEML-UHFFFAOYSA-N
Formula
C18H21ClO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
304.81
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Physical Properties

Property Value Unit Source
ω 0.5804 Relay (1.0) Calculated Property
ΔfG° 234.82 kJ/mol Joback Calculated Property
ΔfH°gas -170.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.50 kJ/mol Joback Calculated Property
ΔvapH° 91.06 kJ/mol Relay (1.0) Calculated Property
IE 8.34 eV Relay (1.0) Calculated Property
log10WS -5.30 Relay (1.0) Calculated Property
logPoct/wat 4.420 Crippen Calculated Property
McVol 247.500 ml/mol McGowan Calculated Property
Pc 1739.01 kPa Joback Calculated Property
Tboil 593.89 K Relay (1.0) Calculated Property
Tc 812.00 K Relay (1.0) Calculated Property
Tfus 298.81 K Relay (1.0) Calculated Property
Vc 0.857 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [668.84; 750.19] J/mol×K [761.30; 988.45] Show Hide
Cp,gas 668.84 J/mol×K 761.30 Joback Calculated Property
Cp,gas 685.10 J/mol×K 799.16 Joback Calculated Property
Cp,gas 700.22 J/mol×K 837.02 Joback Calculated Property
Cp,gas 714.24 J/mol×K 874.88 Joback Calculated Property
Cp,gas 727.21 J/mol×K 912.74 Joback Calculated Property
Cp,gas 739.18 J/mol×K 950.59 Joback Calculated Property
Cp,gas 750.19 J/mol×K 988.45 Joback Calculated Property

Similar Compounds

Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Benzeneacetic acid, 4-nitro-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. 2-Thiopheneacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Tetrazepam M (hydroxy-), isomer 1, hydrolysis, acetylated.

Find more compounds similar to Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Sources

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