Chemical Properties of Phenylthioacetic acid, 4-cyanophenyl ester

Phenylthioacetic acid, 4-cyanophenyl ester

InChI
InChI=1S/C15H11NO2S/c16-10-12-6-8-13(9-7-12)18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,11H2
InChI Key
DQJSGKNXEASBDL-UHFFFAOYSA-N
Formula
C15H11NO2S
SMILES
N#Cc1ccc(OC(=O)CSc2ccccc2)cc1
Molecular Weight1
269.32
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Physical Properties

Property Value Unit Source
ω 0.6292 Relay (1.0) Calculated Property
ΔfG° 222.99 kJ/mol Joback Calculated Property
ΔfH°gas -6.57 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.72 kJ/mol Joback Calculated Property
ΔvapH° 99.06 kJ/mol Relay (1.0) Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
log10WS -4.56 Relay (1.0) Calculated Property
logPoct/wat 3.256 Crippen Calculated Property
McVol 199.860 ml/mol McGowan Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Inp 2275.00 NIST
Tboil 666.89 K Relay (1.0) Calculated Property
Tc 928.65 K Relay (1.0) Calculated Property
Tfus 378.06 K Relay (1.0) Calculated Property
Vc 0.699 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [531.66; 578.20] J/mol×K [848.09; 1110.60] Show Hide
Cp,gas 531.66 J/mol×K 848.09 Joback Calculated Property
Cp,gas 542.42 J/mol×K 891.84 Joback Calculated Property
Cp,gas 551.91 J/mol×K 935.59 Joback Calculated Property
Cp,gas 560.19 J/mol×K 979.35 Joback Calculated Property
Cp,gas 567.30 J/mol×K 1023.10 Joback Calculated Property
Cp,gas 573.29 J/mol×K 1066.85 Joback Calculated Property
Cp,gas 578.20 J/mol×K 1110.60 Joback Calculated Property

Similar Compounds

Phenylthioacetic acid, 4-methoxyphenyl ester. Phenylthioacetic acid, 4-chlorophenyl ester. Phenylthioacetic acid, 3-methylphenyl ester. Phenylthioacetic acid, 3,4-dichlorophenyl ester. Phenylthioacetic acid, 3,5-dimethylphenyl ester. Phenylthioacetic acid, 4-nitrophenyl ester. (Phenylthio)acetic acid, 1-naphthyl ester. (Phenylthio)acetic acid, (4-methoxyphenyl)methyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester. Glutaric acid, 2-fluorophenyl 4-cyanophenyl ester. Benzene,[(4-phenoxybutyl)thio]-. 4-Methylthioamphetamine-M (ring-HO-) diacetylated. 2-(Methylthio)phenol, acetate. Succinic acid, 4-cyanophenyl 3,4-dimethylphenyl ester. Glutaric acid, di(2-(methylthio)phenyl) ester.

Find more compounds similar to Phenylthioacetic acid, 4-cyanophenyl ester.

Sources

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