Chemical Properties of Cyclohexene, 1-methyl-4-(1-methylethyl)- (CAS 5502-88-5)

InChI

InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3

InChI Key

FAMJUFMHYAFYNU-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC1=CCC(C(C)C)CC1

Molecular Weight¹

138.25

CAS

5502-88-5

Other Names

• 1-Menthene
• 1-Methyl-4-(1-methylethyl)cyclohexene
• 1-Methyl-4-isopropyl-1-cyclohexene
• 1-Methyl-4-isopropylcyclohexene
• 1-p-Menthene
• 4-Isopropyl-1-methyl-1-cyclohexene
• 4-Isopropyl-1-methylcyclohexene
• Carvomenthene
• NSC 96749
• p-1-Menthene
• p-Ment-1-ene
• p-Menth-1-ene
• «delta»1-p-Menthene
• «delta»1-p-Menthene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• 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	-6347.80 ± 3.10	kJ/mol	NIST
ΔfG°	75.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-110.80 ± 3.20	kJ/mol	NIST
ΔfH°liquid	-159.80 ± 3.20	kJ/mol	NIST
ΔfusH°	10.80	kJ/mol	Joback Calculated Property
ΔvapH°	[49.00; 49.04]	kJ/mol
ΔvapH°	49.04 ± 0.33	kJ/mol	NIST
ΔvapH°	49.00	kJ/mol	NIST
log10WS	-3.27		Crippen Calculated Property
logPoct/wat	3.389		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[985.00; 1049.00]
Inp	1036.00		NIST
Inp	1019.00		NIST
Inp	1005.70		NIST
Inp	1019.90		NIST
Inp	Outlier 1049.00		NIST
Inp	Outlier 985.00		NIST
Inp	1032.00		NIST
Inp	1017.00		NIST
Inp	1020.00		NIST
Inp	1026.00		NIST
Inp	1017.70		NIST
Inp	1021.00		NIST
Inp	1025.00		NIST
Inp	1025.00		NIST
Inp	1028.00		NIST
Inp	1007.00		NIST
Inp	1019.00		NIST
Inp	1022.00		NIST
Inp	1016.00		NIST
Inp	1022.00		NIST
Inp	Outlier 985.00		NIST
Inp	1032.00		NIST
Inp	1025.00		NIST
I	[1146.00; 1152.00]
I	1151.00		NIST
I	1146.00		NIST
I	1152.00		NIST
I	1150.00		NIST
I	1150.00		NIST
I	1146.00		NIST
I	1151.00		NIST
I	1150.00		NIST
Tboil	[443.00; 450.00]	K
Tboil	443.00 ± 4.00	K	NIST
Tboil	450.00 ± 1.00	K	NIST
Tboil	443.00 ± 5.00	K	NIST
Tc	656.32	K	Joback Calculated Property
Tfus	208.12	K	Joback Calculated Property
Vc	0.508	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[286.78; 384.04]	J/mol×K	[451.45; 656.32]
Cp,gas	286.78	J/mol×K	451.45	Joback Calculated Property
Cp,gas	305.15	J/mol×K	485.59	Joback Calculated Property
Cp,gas	322.63	J/mol×K	519.74	Joback Calculated Property
Cp,gas	339.23	J/mol×K	553.88	Joback Calculated Property
Cp,gas	354.99	J/mol×K	588.03	Joback Calculated Property
Cp,gas	369.91	J/mol×K	622.17	Joback Calculated Property
Cp,gas	384.04	J/mol×K	656.32	Joback Calculated Property
η	[0.0002319; 0.0061732]	Pa×s	[208.12; 451.45]
η	0.0061732	Pa×s	208.12	Joback Calculated Property
η	0.0022871	Pa×s	248.67	Joback Calculated Property
η	0.0011194	Pa×s	289.23	Joback Calculated Property
η	0.0006532	Pa×s	329.78	Joback Calculated Property
η	0.0004288	Pa×s	370.34	Joback Calculated Property
η	0.0003059	Pa×s	410.89	Joback Calculated Property
η	0.0002319	Pa×s	451.45	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[331.32; 470.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49226e+01
Coefficient B			-3.88885e+03
Coefficient C			-6.55970e+01
Temperature range, min.			331.32
Temperature range, max.			470.22
Pvap	1.33	kPa	331.32	Calculated Property
Pvap	2.98	kPa	346.75	Calculated Property
Pvap	6.11	kPa	362.19	Calculated Property
Pvap	11.70	kPa	377.62	Calculated Property
Pvap	21.04	kPa	393.05	Calculated Property
Pvap	35.92	kPa	408.49	Calculated Property
Pvap	58.54	kPa	423.92	Calculated Property
Pvap	91.63	kPa	439.35	Calculated Property
Pvap	138.44	kPa	454.79	Calculated Property
Pvap	202.66	kPa	470.22	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1-methyl-4-(1-methylethyl)-.

Sources

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

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