Chemical Properties of Cyclohexanamine, N-methyl- (CAS 100-60-7)

InChI

InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3

InChI Key

XTUVJUMINZSXGF-UHFFFAOYSA-N

Formula

C7H15N

SMILES

CNC1CCCCC1

Molecular Weight¹

113.20

CAS

100-60-7

Other Names

• (Methylamino)cyclohexane
• 1-METHYLCYCLOHEXYLAMINE
• CYCLOHEXYLMETHYLAMINE
• Cyclohexylamine, N-methyl-
• Methylcyclohexylamine
• N-Cyclohexyl-N-methylamine
• N-Cyclohexylmethylamine
• N-Methyl-N-cyclohexylamine
• N-Methylcyclohexanamine
• N-Methylcyclohexylamine
• NSC 434

• 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).
• 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	0.3001		Relay (1.0) Calculated Property
ΔfG°	121.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.82	kJ/mol	Joback Calculated Property
ΔvapH°	42.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-0.67		Relay (1.0) Calculated Property
logPoct/wat	1.538		Crippen Calculated Property
McVol	108.610	ml/mol	McGowan Calculated Property
Pc	3577.07	kPa	Joback Calculated Property
Inp	[934.00; 947.00]
Inp	934.00		NIST
Inp	947.00		NIST
Inp	934.00		NIST
Inp	947.00		NIST
Tboil	422.20	K	NIST
Tc	632.06	K	Relay (1.0) Calculated Property
Tfus	247.32	K	Relay (1.0) Calculated Property
Vc	0.379	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.57; 308.11]	J/mol×K	[429.28; 636.06]
Cp,gas	219.57	J/mol×K	429.28	Joback Calculated Property
Cp,gas	236.38	J/mol×K	463.74	Joback Calculated Property
Cp,gas	252.34	J/mol×K	498.21	Joback Calculated Property
Cp,gas	267.47	J/mol×K	532.67	Joback Calculated Property
Cp,gas	281.79	J/mol×K	567.13	Joback Calculated Property
Cp,gas	295.33	J/mol×K	601.60	Joback Calculated Property
Cp,gas	308.11	J/mol×K	636.06	Joback Calculated Property
Pvap	[0.14; 1.78]	kPa	[275.20; 314.20]
Pvap	0.14	kPa	275.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.18	kPa	278.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.22	kPa	281.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.27	kPa	284.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.34	kPa	287.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.42	kPa	290.40	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.49	kPa	293.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.61	kPa	296.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.74	kPa	299.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.89	kPa	302.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	1.04	kPa	305.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	1.28	kPa	308.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	1.51	kPa	311.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	1.78	kPa	314.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
ρl	[838.68; 865.20]	kg/m3	[298.15; 328.15]
ρl	865.20	kg/m3	298.15	The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl	856.57	kg/m3	308.15	The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl	847.67	kg/m3	318.15	The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
ρl	838.68	kg/m3	328.15	The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[311.86; 449.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45983e+01
Coefficient B			-3.63216e+03
Coefficient C			-5.80540e+01
Temperature range, min.			311.86
Temperature range, max.			449.16
Pvap	1.33	kPa	311.86	Calculated Property
Pvap	3.00	kPa	327.12	Calculated Property
Pvap	6.19	kPa	342.37	Calculated Property
Pvap	11.87	kPa	357.63	Calculated Property
Pvap	21.36	kPa	372.88	Calculated Property
Pvap	36.40	kPa	388.14	Calculated Property
Pvap	59.18	kPa	403.39	Calculated Property
Pvap	92.35	kPa	418.65	Calculated Property
Pvap	138.99	kPa	433.90	Calculated Property
Pvap	202.63	kPa	449.16	Calculated Property
Pvap	[0.05; 3618.97]	kPa	[264.65; 622.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.26251e+02
Coefficient B			-9.94278e+03
Coefficient C			-1.65629e+01
Coefficient D			1.15695e-05
Temperature range, min.			264.65
Temperature range, max.			622.00
Pvap	0.05	kPa	264.65	Calculated Property
Pvap	0.95	kPa	304.36	Calculated Property
Pvap	7.25	kPa	344.06	Calculated Property
Pvap	33.01	kPa	383.77	Calculated Property
Pvap	106.30	kPa	423.47	Calculated Property
Pvap	270.94	kPa	463.18	Calculated Property
Pvap	588.94	kPa	502.88	Calculated Property
Pvap	1149.12	kPa	542.59	Calculated Property
Pvap	2086.57	kPa	582.29	Calculated Property
Pvap	3618.97	kPa	622.00	Calculated Property

Similar Compounds

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

Mixtures

• Isopropyl Alcohol + Cyclohexanamine, N-methyl-
• 2-Pentanol + Cyclohexanamine, N-methyl-
• Cyclohexanamine, N-methyl- + 2-Hexanol
• 2-Heptanol + Cyclohexanamine, N-methyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The study of physico-chemical properties of binary systems consisting of N-Methylcyclohexylamine with 2-alkanols at T = (298.15-328.15) K
• Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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