Chemical Properties of 1-Phenylcyclopentanenitrile (CAS 77-57-6)

InChI

InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

InChI Key

GDXMFFGTPGAGGX-UHFFFAOYSA-N

Formula

C12H13N

SMILES

N#CC1(c2ccccc2)CCCC1

Molecular Weight¹

171.24

CAS

77-57-6

Other Names

• 1-Phenyl-1-cyclopentanecarbonitrile
• Cyclopentanecarbonitrile, 1-phenyl-
• 1-Phenylcyclopentanecarbonitrile
• 1-phenylcyclohexanecarbonitrile

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	[367.17; 450.39]	J/mol×K	[618.24; 876.13]
Cp,gas	367.17	J/mol×K	618.24	Joback Calculated Property
Cp,gas	383.23	J/mol×K	661.22	Joback Calculated Property
Cp,gas	398.10	J/mol×K	704.20	Joback Calculated Property
Cp,gas	412.02	J/mol×K	747.18	Joback Calculated Property
Cp,gas	425.22	J/mol×K	790.17	Joback Calculated Property
Cp,gas	437.93	J/mol×K	833.15	Joback Calculated Property
Cp,gas	450.39	J/mol×K	876.13	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-Phenylcyclopentanenitrile.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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