Chemical Properties of Cyclohexene, 4-methyl- (CAS 591-47-9)

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

InChI Key

FSWCCQWDVGZMRD-UHFFFAOYSA-N

Formula

C7H12

SMILES

CC1CC=CCC1

Molecular Weight¹

96.17

CAS

591-47-9

Other Names

• 4-METHYL-1-CYCLOHEXENE
• 4-METHYLCYCLOHEXENE
• 4-Methylcyclohex-1-ene
• 4-Methylcyclohexene-1

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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	-4395.00 ± 4.00	kJ/mol	NIST
ΔfG°	62.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.71	kJ/mol	Joback Calculated Property
ΔfH°liquid	-75.00 ± 4.00	kJ/mol	NIST
ΔfusH°	6.94	kJ/mol	Joback Calculated Property
ΔvapH°	36.30 ± 0.60	kJ/mol	NIST
IE	[8.91; 8.92]	eV
IE	8.91 ± 0.01	eV	NIST
IE	8.92	eV	NIST
IE	8.91 ± 0.01	eV	NIST
log10WS	-2.26		Crippen Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	94.330	ml/mol	McGowan Calculated Property
Pc	3677.55	kPa	Joback Calculated Property
Inp	[95.60; 766.00]
Inp	748.00		NIST
Inp	744.00		NIST
Inp	744.60		NIST
Inp	739.90		NIST
Inp	757.50		NIST
Inp	751.20		NIST
Inp	749.00		NIST
Inp	744.00		NIST
Inp	748.00		NIST
Inp	744.00		NIST
Inp	733.00		NIST
Inp	733.00		NIST
Inp	754.00		NIST
Inp	743.00		NIST
Inp	742.80		NIST
Inp	739.50		NIST
Inp	766.00		NIST
Inp	733.20		NIST
Inp	738.10		NIST
Inp	728.00		NIST
Inp	734.00		NIST
Inp	739.00		NIST
Inp	742.00		NIST
Inp	743.00		NIST
Inp	746.00		NIST
Inp	739.10		NIST
Inp	742.00		NIST
Inp	745.50		NIST
Inp	747.10		NIST
Inp	749.00		NIST
Inp	747.10		NIST
Inp	749.00		NIST
Inp	729.60		NIST
Inp	736.30		NIST
Inp	741.80		NIST
Inp	730.00		NIST
Inp	736.00		NIST
Inp	742.00		NIST
Inp	728.00		NIST
Inp	734.00		NIST
Inp	738.00		NIST
Inp	744.00		NIST
Inp	739.00		NIST
Inp	729.80		NIST
Inp	729.83		NIST
Inp	730.00		NIST
Inp	744.00		NIST
Inp	733.00		NIST
Inp	735.00		NIST
Inp	737.00		NIST
Inp	734.00		NIST
Inp	740.00		NIST
Inp	715.00		NIST
Inp	740.00		NIST
Inp	740.00		NIST
Inp	728.00		NIST
Inp	744.00		NIST
Inp	751.00		NIST
Inp	Outlier 95.60		NIST
Inp	Outlier 95.60		NIST
Inp	748.00		NIST
Inp	751.20		NIST
Inp	733.00		NIST
Inp	739.50		NIST
Inp	734.00		NIST
Inp	739.10		NIST
Inp	747.10		NIST
Inp	730.00		NIST
Inp	738.00		NIST
I	[849.00; 893.10]
I	893.00		NIST
I	874.00		NIST
I	884.00		NIST
I	883.00		NIST
I	869.00		NIST
I	893.00		NIST
I	893.10		NIST
I	874.00		NIST
I	883.90		NIST
I	893.10		NIST
I	874.00		NIST
I	883.90		NIST
I	849.00		NIST
I	859.00		NIST
I	859.00		NIST
I	849.00		NIST
S°liquid	253.01	J/mol×K	NIST
Tboil	[374.70; 377.00]	K
Tboil	374.70	K	NIST
Tboil	376.00 ± 0.10	K	NIST
Tboil	375.92 ± 0.40	K	NIST
Tboil	375.89 ± 0.20	K	NIST
Tboil	375.00 ± 2.00	K	NIST
Tboil	375.88 ± 0.30	K	NIST
Tboil	376.30 ± 0.50	K	NIST
Tboil	375.70 ± 5.00	K	NIST
Tboil	377.00 ± 5.00	K	NIST
Tc	582.97	K	Joback Calculated Property
Tfus	[156.88; 157.40]	K
Tfus	156.88 ± 0.60	K	NIST
Tfus	157.40 ± 0.30	K	NIST
Vc	0.346	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.50; 239.62]	J/mol×K	[378.27; 582.97]
Cp,gas	160.50	J/mol×K	378.27	Joback Calculated Property
Cp,gas	175.47	J/mol×K	412.39	Joback Calculated Property
Cp,gas	189.70	J/mol×K	446.50	Joback Calculated Property
Cp,gas	203.22	J/mol×K	480.62	Joback Calculated Property
Cp,gas	216.03	J/mol×K	514.73	Joback Calculated Property
Cp,gas	228.15	J/mol×K	548.85	Joback Calculated Property
Cp,gas	239.62	J/mol×K	582.97	Joback Calculated Property
Cp,liquid	180.42	J/mol×K	298.15	NIST
η	[0.0002578; 0.0052144]	Pa×s	[176.79; 378.27]
η	0.0052144	Pa×s	176.79	Joback Calculated Property
η	0.0021175	Pa×s	210.37	Joback Calculated Property
η	0.0011021	Pa×s	243.95	Joback Calculated Property
η	0.0006718	Pa×s	277.53	Joback Calculated Property
η	0.0004557	Pa×s	311.11	Joback Calculated Property
η	0.0003334	Pa×s	344.69	Joback Calculated Property
η	0.0002578	Pa×s	378.27	Joback Calculated Property
ΔfusH	[6.63; 6.63]	kJ/mol	[153.60; 153.60]
ΔfusH	6.63	kJ/mol	153.60	NIST
ΔfusH	6.63	kJ/mol	153.60	NIST
ΔvapH	[36.30; 37.00]	kJ/mol	[285.50; 360.50]
ΔvapH	37.00 ± 0.60	kJ/mol	285.50	NIST
ΔvapH	36.30	kJ/mol	360.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[273.26; 402.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39002e+01
Coefficient B			-2.99749e+03
Coefficient C			-5.30590e+01
Temperature range, min.			273.26
Temperature range, max.			402.06
Pvap	1.33	kPa	273.26	Calculated Property
Pvap	3.06	kPa	287.57	Calculated Property
Pvap	6.38	kPa	301.88	Calculated Property
Pvap	12.29	kPa	316.19	Calculated Property
Pvap	22.12	kPa	330.50	Calculated Property
Pvap	37.57	kPa	344.82	Calculated Property
Pvap	60.74	kPa	359.13	Calculated Property
Pvap	94.08	kPa	373.44	Calculated Property
Pvap	140.35	kPa	387.75	Calculated Property
Pvap	202.64	kPa	402.06	Calculated Property
Pvap	[4.01; 373.51]	kPa	[292.15; 429.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.94074e+01
Coefficient B			-6.91563e+03
Coefficient C			-9.67948e+00
Coefficient D			7.08774e-06
Temperature range, min.			292.15
Temperature range, max.			429.15
Pvap	4.01	kPa	292.15	Calculated Property
Pvap	8.44	kPa	307.37	Calculated Property
Pvap	16.36	kPa	322.59	Calculated Property
Pvap	29.55	kPa	337.82	Calculated Property
Pvap	50.23	kPa	353.04	Calculated Property
Pvap	81.08	kPa	368.26	Calculated Property
Pvap	125.21	kPa	383.48	Calculated Property
Pvap	186.06	kPa	398.71	Calculated Property
Pvap	267.45	kPa	413.93	Calculated Property
Pvap	373.51	kPa	429.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 4-methyl-.

Sources

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

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