Chemical Properties of Thiocyanic acid, phenyl ester (CAS 5285-87-0)

Thiocyanic acid, phenyl ester

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InChI
InChI=1S/C7H5NS/c8-6-9-7-4-2-1-3-5-7/h1-5H
InChI Key
YXCDJKQYFBEAOU-UHFFFAOYSA-N
Formula
C7H5NS
SMILES
N#CSc1ccccc1
Molecular Weight1
135.19
CAS
5285-87-0
Other Names
  • Phenyl thiocyanate
  • Phenylrhodanid
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4340.52 kJ/mol NIST
Δf 286.77 kJ/mol Joback Calculated Property
Δfgas 255.47 kJ/mol Joback Calculated Property
Δfliquid 267.00 kJ/mol NIST
Δfus 13.56 kJ/mol Joback Calculated Property
Δvap 50.75 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 4072.51 kPa Joback Calculated Property
Tboil 345.20 K NIST
Tc 815.58 K Joback Calculated Property
Tfus 294.46 K Joback Calculated Property
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 201.03 J/mol×K 557.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-S- 1
=CH- (ring) 5
=C< (ring) 1

Similar Compounds

Benzene, (methylthio)-. 4-(Methylthio)thiophenol. Benzene, (ethylthio)-. 1,4-Benzenedithiol, s,s'-dimethyl-. Benzene, (ethenylthio)-. (E) Phenyl-1-propenylsulfide. Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Benzene, (propylthio)-. 1,3-Benzenedithiol, s,s'-dimethyl-. Phenyl propargyl sulfide. Allylphenyl sulfide. 4-Iodothioanisole. Bis(phenylthio)methane. Phenol, 4-(methylthio)-.

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