Chemical Properties of Cyclohexanecarboxamide, N-(3-methylphenyl)-

InChI

InChI=1S/C14H19NO/c1-11-6-5-9-13(10-11)15-14(16)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,16)

InChI Key

CWVHDXWMBQABJH-UHFFFAOYSA-N

Formula

C14H19NO

SMILES

Cc1cccc(NC(=O)C2CCCCC2)c1

Molecular Weight¹

217.31

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5630		Relay (1.0) Calculated Property
ΔfG°	154.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.20	kJ/mol	Joback Calculated Property
ΔvapH°	79.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.514		Crippen Calculated Property
McVol	185.050	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Tboil	610.72	K	Relay (1.0) Calculated Property
Tc	872.12	K	Relay (1.0) Calculated Property
Tfus	363.27	K	Relay (1.0) Calculated Property
Vc	0.650	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.97; 607.34]	J/mol×K	[674.97; 912.23]
Cp,gas	513.97	J/mol×K	674.97	Joback Calculated Property
Cp,gas	532.88	J/mol×K	714.51	Joback Calculated Property
Cp,gas	550.37	J/mol×K	754.06	Joback Calculated Property
Cp,gas	566.49	J/mol×K	793.60	Joback Calculated Property
Cp,gas	581.32	J/mol×K	833.14	Joback Calculated Property
Cp,gas	594.92	J/mol×K	872.69	Joback Calculated Property
Cp,gas	607.34	J/mol×K	912.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxamide, N-(3-methylphenyl)-.

Sources

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

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