Chemical Properties of 2-Methylbicyclohexyl

InChI

InChI=1S/C13H24/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h11-13H,2-10H2,1H3

InChI Key

SRCQYSQCKOUHTG-UHFFFAOYSA-N

Formula

C13H24

SMILES

CC1CCCCC1C1CCCCC1

Molecular Weight¹

180.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.3171		Relay (1.0) Calculated Property
ΔfG°	99.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-213.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.17	kJ/mol	Joback Calculated Property
ΔvapH°	61.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-5.86		Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	172.310	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Tboil	[523.02; 528.15]	K
Tboil	523.02 ± 0.30	K	NIST
Tboil	528.15 ± 0.40	K	NIST
Tc	740.89	K	Relay (1.0) Calculated Property
Tfus	[246.72; 262.88]	K
Tfus	246.72 ± 0.20	K	NIST
Tfus	262.88 ± 0.30	K	NIST
Vc	0.613	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.29; 666.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.34200e+02
Coefficient B			1.45652e+00
Coefficient C			-7.90000e-04
Coefficient D			1.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.29	J/mol×K	273.00	Calculated Property
Cp,gas	288.16	J/mol×K	353.78	Calculated Property
Cp,gas	360.59	J/mol×K	434.56	Calculated Property
Cp,gas	425.00	J/mol×K	515.33	Calculated Property
Cp,gas	481.81	J/mol×K	596.11	Calculated Property
Cp,gas	531.45	J/mol×K	676.89	Calculated Property
Cp,gas	574.35	J/mol×K	757.67	Calculated Property
Cp,gas	610.93	J/mol×K	838.44	Calculated Property
Cp,gas	641.61	J/mol×K	919.22	Calculated Property
Cp,gas	666.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059201; 0.0002570]	Pa×s	[254.80; 531.49]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11552e+01
Coefficient B			1.53537e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			254.80
Temperature range, max.			531.49
η	0.0059201	Pa×s	254.80	Calculated Property
η	0.0030944	Pa×s	285.54	Calculated Property
η	0.0018348	Pa×s	316.29	Calculated Property
η	0.0011935	Pa×s	347.03	Calculated Property
η	0.0008326	Pa×s	377.77	Calculated Property
η	0.0006132	Pa×s	408.51	Calculated Property
η	0.0004714	Pa×s	439.26	Calculated Property
η	0.0003751	Pa×s	470.00	Calculated Property
η	0.0003069	Pa×s	500.74	Calculated Property
η	0.0002570	Pa×s	531.49	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylbicyclohexyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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