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

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

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.03; 246.28]	J/mol×K	[557.10; 815.58]
Cp,gas	201.03	J/mol×K	557.10	Joback Calculated Property
Cp,gas	210.35	J/mol×K	600.18	Joback Calculated Property
Cp,gas	218.92	J/mol×K	643.26	Joback Calculated Property
Cp,gas	226.76	J/mol×K	686.34	Joback Calculated Property
Cp,gas	233.92	J/mol×K	729.42	Joback Calculated Property
Cp,gas	240.41	J/mol×K	772.50	Joback Calculated Property
Cp,gas	246.28	J/mol×K	815.58	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Thiocyanic acid, phenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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