Chemical Properties of Pentamethylphenylacetonitrile (CAS 34688-70-5)

InChI

InChI=1S/C13H17N/c1-8-9(2)11(4)13(6-7-14)12(5)10(8)3/h6H2,1-5H3

InChI Key

FJHYQRAQLGAUPF-UHFFFAOYSA-N

Formula

C13H17N

SMILES

Cc1c(C)c(C)c(CC#N)c(C)c1C

Molecular Weight¹

187.28

CAS

34688-70-5

• ω : Acentric Factor.
• 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).
• 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_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	[427.39; 499.89]	J/mol×K	[650.50; 866.87]
Cp,gas	427.39	J/mol×K	650.50	Joback Calculated Property
Cp,gas	441.20	J/mol×K	686.56	Joback Calculated Property
Cp,gas	454.29	J/mol×K	722.62	Joback Calculated Property
Cp,gas	466.70	J/mol×K	758.69	Joback Calculated Property
Cp,gas	478.43	J/mol×K	794.75	Joback Calculated Property
Cp,gas	489.49	J/mol×K	830.81	Joback Calculated Property
Cp,gas	499.89	J/mol×K	866.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentamethylphenylacetonitrile.

Sources

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

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