Chemical Properties of Cyclohexanecarbonitrile (CAS 766-05-2)

InChI

InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2

InChI Key

VBWIZSYFQSOUFQ-UHFFFAOYSA-N

Formula

C7H11N

SMILES

N#CC1CCCCC1

Molecular Weight¹

109.17

CAS

766-05-2

Other Names

• Cyanocyclohexane
• Cyclohexanecarboxylic acid nitrile
• Cyclohexyl cyanide
• Hexahydrobenzonitrile

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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

Property	Value	Unit	Source
PAff	815.00	kJ/mol	NIST
BasG	784.40	kJ/mol	NIST
ΔcH°liquid	[-4279.48; -4267.60]	kJ/mol
ΔcH°liquid	-4279.48 ± 0.50	kJ/mol	NIST
ΔcH°liquid	-4267.60 ± 2.30	kJ/mol	NIST
ΔfG°	165.69	kJ/mol	Joback Calculated Property
ΔfH°gas	[-7.24; -3.60]	kJ/mol
ΔfH°gas	-3.60	kJ/mol	NIST
ΔfH°gas	-7.24	kJ/mol	NIST
ΔfH°liquid	[-59.12; -47.20]	kJ/mol
ΔfH°liquid	-47.20	kJ/mol	NIST
ΔfH°liquid	-59.12	kJ/mol	NIST
ΔfusH°	7.23	kJ/mol	Joback Calculated Property
ΔvapH°	42.08	kJ/mol	Joback Calculated Property
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	2.090		Crippen Calculated Property
McVol	100.010	ml/mol	McGowan Calculated Property
Pc	3419.86	kPa	Joback Calculated Property
Tboil	461.40 ± 0.20	K	NIST
Tc	708.27	K	Joback Calculated Property
Tfus	285.20 ± 0.20	K	NIST
Vc	0.387	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.28; 284.53]	J/mol×K	[481.19; 708.27]
Cp,gas	211.28	J/mol×K	481.19	Joback Calculated Property
Cp,gas	225.48	J/mol×K	519.04	Joback Calculated Property
Cp,gas	238.85	J/mol×K	556.88	Joback Calculated Property
Cp,gas	251.42	J/mol×K	594.73	Joback Calculated Property
Cp,gas	263.20	J/mol×K	632.58	Joback Calculated Property
Cp,gas	274.23	J/mol×K	670.42	Joback Calculated Property
Cp,gas	284.53	J/mol×K	708.27	Joback Calculated Property
Cp,liquid	177.90	J/mol×K	297.00	NIST
ΔfusH	[3.64; 7.43]	kJ/mol	[215.00; 285.10]
ΔfusH	7.43	kJ/mol	215.00	NIST
ΔfusH	3.64	kJ/mol	285.10	NIST
ΔfusH	3.64	kJ/mol	285.10	NIST
ΔvapH	39.40	kJ/mol	380.00	NIST
ΔfusS	[12.75; 34.53]	J/mol×K	[215.00; 285.10]
ΔfusS	34.53	J/mol×K	215.00	NIST
ΔfusS	12.75	J/mol×K	285.10	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclohexanecarbonitrile.

Sources

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

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