Chemical Properties of 3-Methylcyclohexylamine,c&t (CAS 6850-35-7)

InChI

InChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3

InChI Key

JYDYHSHPBDZRPU-UHFFFAOYSA-N

Formula

C7H15N

SMILES

CC1CCCC(N)C1

Molecular Weight¹

113.20

CAS

6850-35-7

Other Names

• 3-Methylcyclohexylamine
• 3-Methylcyclohexylamine, (cis+trans)
• 3-methylcyclohexylamine, mixed isomers
• Cyclohexanamine, 3-methyl-

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_vap : Vapor pressure (kPa).
• 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
ΔcH°liquid	-4718.30	kJ/mol	NIST
ΔfG°	91.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-120.04	kJ/mol	Joback Calculated Property
ΔfusH°	11.99	kJ/mol	Joback Calculated Property
ΔvapH°	41.94	kJ/mol	Joback Calculated Property
log10WS	-1.95		Crippen Calculated Property
logPoct/wat	1.524		Crippen Calculated Property
McVol	108.610	ml/mol	McGowan Calculated Property
Pc	3624.61	kPa	Joback Calculated Property
Inp	[926.00; 927.00]
Inp	926.00		NIST
Inp	926.00		NIST
Inp	926.00		NIST
Inp	Outlier 927.00		NIST
Inp	926.00		NIST
Inp	926.00		NIST
I	[1231.00; 1231.00]
I	1231.00		NIST
I	1231.00		NIST
I	1231.00		NIST
Tboil	446.97	K	Joback Calculated Property
Tc	664.51	K	Joback Calculated Property
Tfus	255.05	K	Joback Calculated Property
Vc	0.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.34; 323.26]	J/mol×K	[446.97; 664.51]
Cp,gas	233.34	J/mol×K	446.97	Joback Calculated Property
Cp,gas	250.45	J/mol×K	483.23	Joback Calculated Property
Cp,gas	266.69	J/mol×K	519.48	Joback Calculated Property
Cp,gas	282.07	J/mol×K	555.74	Joback Calculated Property
Cp,gas	296.61	J/mol×K	591.99	Joback Calculated Property
Cp,gas	310.34	J/mol×K	628.25	Joback Calculated Property
Cp,gas	323.26	J/mol×K	664.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[311.52; 440.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51825e+01
Coefficient B			-3.76445e+03
Coefficient C			-5.87860e+01
Temperature range, min.			311.52
Temperature range, max.			440.15
Pvap	1.33	kPa	311.52	Calculated Property
Pvap	2.96	kPa	325.81	Calculated Property
Pvap	6.06	kPa	340.10	Calculated Property
Pvap	11.57	kPa	354.40	Calculated Property
Pvap	20.81	kPa	368.69	Calculated Property
Pvap	35.55	kPa	382.98	Calculated Property
Pvap	58.04	kPa	397.27	Calculated Property
Pvap	91.07	kPa	411.57	Calculated Property
Pvap	137.99	kPa	425.86	Calculated Property
Pvap	202.65	kPa	440.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcyclohexylamine,c&t.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.