Chemical Properties of Cyclohexene, 4-methyl-1-(1-methylethyl)- (CAS 500-00-5)

InChI

InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3

InChI Key

YYCPSEFQLGXPCO-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC1CC=C(C(C)C)CC1

Molecular Weight¹

138.25

CAS

500-00-5

Other Names

• 1-Isopropyl-4-methylcyclohexene
• 3-Menthene
• 3-p-Menthene
• 3-para-Menthene
• 4-Methyl-1-(1-methylethyl)cyclohexene
• 4-Methyl-1-iso-propylcyclohexene
• Menthomenthene
• dl-p-Menth-3-ene
• p-Menth-3-en
• p-Menth-3-ene
• «delta»3-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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-6350.80 ± 2.50	kJ/mol	NIST
ΔfH°gas	-111.20 ± 2.60	kJ/mol	NIST
ΔfH°liquid	-156.80 ± 2.60	kJ/mol	NIST
ΔfusH°	10.80	kJ/mol	Joback Calculated Property
ΔvapH°	[45.60; 45.61]	kJ/mol
ΔvapH°	45.61 ± 0.50	kJ/mol	NIST
ΔvapH°	45.60	kJ/mol	NIST
logPoct/wat	3.389		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Inp	[969.00; 1015.00]
Inp	993.10		NIST
Inp	976.10		NIST
Inp	997.00		NIST
Inp	988.00		NIST
Inp	Outlier 1015.00		NIST
Inp	974.00		NIST
Inp	990.00		NIST
Inp	976.00		NIST
Inp	979.00		NIST
Inp	984.00		NIST
Inp	969.00		NIST
Inp	986.00		NIST
Inp	1000.00		NIST
Inp	988.00		NIST
Inp	983.00		NIST
Inp	993.10		NIST
I	[1075.00; 1081.00]
I	1075.00		NIST
I	1081.00		NIST
I	1075.00		NIST
Tboil	[273.15; 444.00]	K
Tboil	440.00 ± 4.00	K	NIST
Tboil	273.15 ± 6.00	K	NIST
Tboil	444.00 ± 6.00	K	NIST
Tfus	196.11	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.26; 486.51]	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			-5.14100e+01
Coefficient B			9.66360e-01
Coefficient C			-5.24640e-04
Coefficient D			9.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.26	J/mol×K	273.00	Calculated Property
Cp,gas	229.06	J/mol×K	353.78	Calculated Property
Cp,gas	277.35	J/mol×K	434.56	Calculated Property
Cp,gas	320.43	J/mol×K	515.33	Calculated Property
Cp,gas	358.60	J/mol×K	596.11	Calculated Property
Cp,gas	392.16	J/mol×K	676.89	Calculated Property
Cp,gas	421.44	J/mol×K	757.67	Calculated Property
Cp,gas	446.71	J/mol×K	838.44	Calculated Property
Cp,gas	468.30	J/mol×K	919.22	Calculated Property
Cp,gas	486.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061732; 0.0002206]	Pa×s	[208.12; 459.63]	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			-1.11759e+01
Coefficient B			1.26711e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			208.12
Temperature range, max.			459.63
η	0.0061732	Pa×s	208.12	Calculated Property
η	0.0030026	Pa×s	236.07	Calculated Property
η	0.0017012	Pa×s	264.01	Calculated Property
η	0.0010746	Pa×s	291.96	Calculated Property
η	0.0007355	Pa×s	319.90	Calculated Property
η	0.0005350	Pa×s	347.85	Calculated Property
η	0.0004081	Pa×s	375.79	Calculated Property
η	0.0003231	Pa×s	403.74	Calculated Property
η	0.0002637	Pa×s	431.68	Calculated Property
η	0.0002206	Pa×s	459.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[325.20; 468.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44919e+01
Coefficient B			-3.71769e+03
Coefficient C			-6.34700e+01
Temperature range, min.			325.20
Temperature range, max.			468.43
Pvap	1.33	kPa	325.20	Calculated Property
Pvap	3.01	kPa	341.11	Calculated Property
Pvap	6.22	kPa	357.03	Calculated Property
Pvap	11.93	kPa	372.94	Calculated Property
Pvap	21.47	kPa	388.86	Calculated Property
Pvap	36.57	kPa	404.77	Calculated Property
Pvap	59.41	kPa	420.69	Calculated Property
Pvap	92.61	kPa	436.60	Calculated Property
Pvap	139.21	kPa	452.52	Calculated Property
Pvap	202.65	kPa	468.43	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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