Chemical Properties of Cyclohexane, 1-methyl-3-(1-methylethyl)- (CAS 16580-24-8)

InChI

InChI=1S/C10H20/c1-8(2)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3

InChI Key

QRDCBPPMQOPHOU-UHFFFAOYSA-N

Formula

C10H20

SMILES

CC1CCCC(C(C)C)C1

Molecular Weight¹

140.27

CAS

16580-24-8

Other Names

• 1-Isopropyl-3-methylcyclohexane
• m-Menthane
• 3-Methyl-1-(1-methylethyl)cyclohexane
• Iso-m-menthane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	0.2897		Relay (1.0) Calculated Property
ΔfG°	47.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.04	kJ/mol	Joback Calculated Property
ΔvapH°	47.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	140.900	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[1009.00; 1037.00]
Inp	1009.00		NIST
Inp	1037.00		NIST
Inp	1037.00		NIST
Inp	1009.00		NIST
Tboil	[440.00; 441.00]	K
Tboil	440.00 ± 5.00	K	NIST
Tboil	441.00 ± 5.00	K	NIST
Tc	642.52	K	Relay (1.0) Calculated Property
Tfus	174.11	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.45; 527.51]	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			-6.75500e+01
Coefficient B			1.05536e+00
Coefficient C			-5.49000e-04
Coefficient D			8.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.45	J/mol×K	273.00	Calculated Property
Cp,gas	241.03	J/mol×K	353.78	Calculated Property
Cp,gas	294.67	J/mol×K	434.56	Calculated Property
Cp,gas	342.65	J/mol×K	515.33	Calculated Property
Cp,gas	385.26	J/mol×K	596.11	Calculated Property
Cp,gas	422.78	J/mol×K	676.89	Calculated Property
Cp,gas	455.48	J/mol×K	757.67	Calculated Property
Cp,gas	483.65	J/mol×K	838.44	Calculated Property
Cp,gas	507.57	J/mol×K	919.22	Calculated Property
Cp,gas	527.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082413; 0.0002409]	Pa×s	[190.60; 450.80]	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			-1.09184e+01
Coefficient B			1.16644e+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.			190.60
Temperature range, max.			450.80
η	0.0082413	Pa×s	190.60	Calculated Property
η	0.0036808	Pa×s	219.51	Calculated Property
η	0.0019832	Pa×s	248.42	Calculated Property
η	0.0012156	Pa×s	277.33	Calculated Property
η	0.0008172	Pa×s	306.24	Calculated Property
η	0.0005884	Pa×s	335.16	Calculated Property
η	0.0004463	Pa×s	364.07	Calculated Property
η	0.0003526	Pa×s	392.98	Calculated Property
η	0.0002877	Pa×s	421.89	Calculated Property
η	0.0002409	Pa×s	450.80	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-methyl-3-(1-methylethyl)-.

Sources

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

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