Chemical Properties of Cyclohexanamine, N,N-dimethyl- (CAS 98-94-2)

InChI

InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3

InChI Key

SVYKKECYCPFKGB-UHFFFAOYSA-N

Formula

C8H17N

SMILES

CN(C)C1CCCCC1

Molecular Weight¹

127.23

CAS

98-94-2

Other Names

• (Dimethylamino)cyclohexane
• Cyclohexylamine, N,N-dimethyl-
• Cyclohexyldimethylamine
• Dimethylcyclohexylamine
• N,N-Dimethyl-N-cyclohexylamine
• N,N-Dimethylaminocyclohexane
• N,N-Dimethylcyclohexanamine
• N,N-Dimethylcyclohexylamine
• N-Cyclohexyldimethylamine
• NSC 163904
• Polycat 8
• UN 2264

• ω : Acentric Factor.
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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	0.2686		Relay (1.0) Calculated Property
PAff	983.60	kJ/mol	NIST
BasG	952.60	kJ/mol	NIST
ΔcH°liquid	-5442.80 ± 2.00	kJ/mol	NIST
ΔfG°	151.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-86.62	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-134.80 ± 2.00	kJ/mol	NIST
ΔfusH°	11.33	kJ/mol	Joback Calculated Property
ΔvapH°	42.24	kJ/mol	Relay (1.0) Calculated Property
IE	[7.50; 8.09]	eV
IE	7.50	eV	NIST
IE	8.09	eV	NIST
log10WS	-1.09		Relay (1.0) Calculated Property
logPoct/wat	1.881		Crippen Calculated Property
McVol	122.700	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[994.00; 995.00]
Inp	995.00		NIST
Inp	994.00		NIST
Inp	995.00		NIST
Tboil	431.70	K	NIST
Tc	644.07	K	Relay (1.0) Calculated Property
Tfus	235.36	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.24; 341.20]	J/mol×K	[414.43; 613.03]
Cp,gas	243.24	J/mol×K	414.43	Joback Calculated Property
Cp,gas	261.82	J/mol×K	447.53	Joback Calculated Property
Cp,gas	279.47	J/mol×K	480.63	Joback Calculated Property
Cp,gas	296.20	J/mol×K	513.73	Joback Calculated Property
Cp,gas	312.04	J/mol×K	546.83	Joback Calculated Property
Cp,gas	327.04	J/mol×K	579.93	Joback Calculated Property
Cp,gas	341.20	J/mol×K	613.03	Joback Calculated Property
Pvap	[0.09; 1.11]	kPa	[275.30; 314.30]
Pvap	0.09	kPa	275.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.09	kPa	275.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.09	kPa	275.40	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.11	kPa	278.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.15	kPa	281.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.18	kPa	284.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.21	kPa	287.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.26	kPa	290.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.32	kPa	293.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.38	kPa	296.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.47	kPa	299.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.57	kPa	302.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.66	kPa	305.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.81	kPa	308.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.91	kPa	311.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	1.11	kPa	314.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
ρl	[844.00; 856.40]	kg/m3	[283.15; 308.15]
ρl	856.40	kg/m3	283.15	Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide
ρl	854.00	kg/m3	288.15	Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide
ρl	851.50	kg/m3	293.15	Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide
ρl	849.10	kg/m3	298.15	Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide
ρl	846.50	kg/m3	303.15	Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide
ρl	844.00	kg/m3	308.15	Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[321.12; 458.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47617e+01
Coefficient B			-3.74877e+03
Coefficient C			-6.21220e+01
Temperature range, min.			321.12
Temperature range, max.			458.81
Pvap	1.33	kPa	321.12	Calculated Property
Pvap	2.99	kPa	336.42	Calculated Property
Pvap	6.15	kPa	351.72	Calculated Property
Pvap	11.78	kPa	367.02	Calculated Property
Pvap	21.20	kPa	382.32	Calculated Property
Pvap	36.15	kPa	397.61	Calculated Property
Pvap	58.86	kPa	412.91	Calculated Property
Pvap	91.99	kPa	428.21	Calculated Property
Pvap	138.72	kPa	443.51	Calculated Property
Pvap	202.66	kPa	458.81	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanamine, N,N-dimethyl-.

Mixtures

• Carbon dioxide + Cyclohexanamine, N,N-dimethyl- + Water
• Toluene + Cyclohexanamine, N,N-dimethyl- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Non-random two-liquid modelling of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexanamine, water, and toluene
• Physicochemical properties of switchable-hydrophilicity solvent systems: N,N-Dimethylcyclohexylamine, water and carbon dioxide
• Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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