Chemical Properties of Cyclohexanamine, N-cyclohexyl- (CAS 101-83-7)

InChI

InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2

InChI Key

XBPCUCUWBYBCDP-UHFFFAOYSA-N

Formula

C12H23N

SMILES

C1CCC(NC2CCCCC2)CC1

Molecular Weight¹

181.32

CAS

101-83-7

Other Names

• Aminodicyclohexane
• Bis(cyclohexyl)amine
• Cyclohexylcyclohexanamine
• DCH
• DCHA
• DODECAHYDRODIPHENYLAMINE
• Dicha
• Dicyclohexylamine
• Dicyklohexylamin
• N,N-Diclohexylamine
• N,N-Dicyclohexylamine
• N-CYCLOHEXYLCYCLOHEXANAMINE
• N-Cyclohexyl-cyclohexylamine
• NSC 3399
• UN 2565

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : 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	0.3887		Relay (1.0) Calculated Property
ΔcH°liquid	-7782.40 ± 2.70	kJ/mol	NIST
ΔfG°	188.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-191.34	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-226.80 ± 2.70	kJ/mol	NIST
ΔfusH°	15.60	kJ/mol	Joback Calculated Property
ΔvapH°	61.93	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	168.200	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	3		KDB
Pc	2637.96	kPa	Joback Calculated Property
Inp	[1392.00; 1444.00]
Inp	1431.48		NIST
Inp	1408.00		NIST
Inp	1437.00		NIST
Inp	1442.00		NIST
Inp	1444.00		NIST
Inp	1392.00		NIST
Inp	1400.00		NIST
Inp	1437.00		NIST
Inp	1392.00		NIST
I	[1663.00; 1683.00]
I	1663.00		NIST
I	1673.00		NIST
I	1683.00		NIST
I	1663.00		NIST
Tboil	[522.15; 529.20]	K
Tboil	529.20	K	NIST
Tboil	524.65 ± 1.50	K	NIST
Tboil	522.15 ± 6.00	K	NIST
Tc	761.21	K	Relay (1.0) Calculated Property
Tfus	321.56	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.72; 573.82]	J/mol×K	[563.23; 794.59]
Cp,gas	446.72	J/mol×K	563.23	Joback Calculated Property
Cp,gas	471.79	J/mol×K	601.79	Joback Calculated Property
Cp,gas	495.24	J/mol×K	640.35	Joback Calculated Property
Cp,gas	517.11	J/mol×K	678.91	Joback Calculated Property
Cp,gas	537.46	J/mol×K	717.47	Joback Calculated Property
Cp,gas	556.34	J/mol×K	756.03	Joback Calculated Property
Cp,gas	573.82	J/mol×K	794.59	Joback Calculated Property
ΔvapH	54.00	kJ/mol	468.50	NIST
Pvap	[3.22e-03; 0.06]	kPa	[295.40; 333.20]
Pvap	3.22e-03	kPa	295.40	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	4.16e-03	kPa	298.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	5.50e-03	kPa	301.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	7.06e-03	kPa	304.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	8.89e-03	kPa	307.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.01	kPa	310.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.01	kPa	313.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.02	kPa	315.10	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.02	kPa	318.30	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.03	kPa	321.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.03	kPa	324.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.04	kPa	327.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.05	kPa	330.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
Pvap	0.06	kPa	333.20	Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
n0	[1.47134; 1.48636]		[288.15; 323.15]
n0	1.48636		288.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.48416		293.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.48198		298.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.47978		303.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.47761		308.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.47562		313.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.47347		318.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
n0	1.47134		323.15	Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[391.30; 562.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51017e+01
Coefficient B			-4.94503e+03
Coefficient C			-5.74970e+01
Temperature range, min.			391.30
Temperature range, max.			562.60
Pvap	1.33	kPa	391.30	Calculated Property
Pvap	2.96	kPa	410.33	Calculated Property
Pvap	6.07	kPa	429.37	Calculated Property
Pvap	11.60	kPa	448.40	Calculated Property
Pvap	20.88	kPa	467.43	Calculated Property
Pvap	35.66	kPa	486.47	Calculated Property
Pvap	58.19	kPa	505.50	Calculated Property
Pvap	91.25	kPa	524.53	Calculated Property
Pvap	138.13	kPa	543.57	Calculated Property
Pvap	202.66	kPa	562.60	Calculated Property
Pvap	[3.70e-04; 2380.47]	kPa	[273.05; 737.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.52535e+02
Coefficient B			-1.33522e+04
Coefficient C			-2.00181e+01
Coefficient D			1.01790e-05
Temperature range, min.			273.05
Temperature range, max.			737.00
Pvap	3.70e-04	kPa	273.05	Calculated Property
Pvap	0.04	kPa	324.60	Calculated Property
Pvap	0.79	kPa	376.15	Calculated Property
Pvap	6.68	kPa	427.70	Calculated Property
Pvap	31.67	kPa	479.25	Calculated Property
Pvap	104.18	kPa	530.80	Calculated Property
Pvap	270.85	kPa	582.35	Calculated Property
Pvap	605.71	kPa	633.90	Calculated Property
Pvap	1233.62	kPa	685.45	Calculated Property
Pvap	2380.47	kPa	737.00	Calculated Property

Similar Compounds

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

Mixtures

• 1-Propanol + Cyclohexanamine, N-cyclohexyl-
• 1-Butanol + Cyclohexanamine, N-cyclohexyl-
• 2-Propanol, 2-methyl- + Cyclohexanamine, N-cyclohexyl-
• 1-Pentanol + Cyclohexanamine, N-cyclohexyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental Determination and Modeling of Densities and Refractive Indices of the Binary Systems Alcohol + Dicyclohexylamine at T = (288.15 to 323.15) K
• Thermodynamic properties of cyclohexanamines: Experimental and theoretical study
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.