Chemical Properties of Cyclohexene, 3-methyl- (CAS 591-48-0)

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3

InChI Key

UZPWKTCMUADILM-UHFFFAOYSA-N

Formula

C7H12

SMILES

CC1C=CCCC1

Molecular Weight¹

96.17

CAS

591-48-0

Other Names

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

• 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).
• 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.
• 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
ΔfG°	62.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.71	kJ/mol	Joback Calculated Property
ΔfusH°	6.94	kJ/mol	Joback Calculated Property
ΔvapH°	31.90	kJ/mol	Joback Calculated Property
IE	[8.89; 9.12]	eV
IE	8.89 ± 0.01	eV	NIST
IE	8.94 ± 0.03	eV	NIST
IE	9.12	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	[727.00; 777.00]
Inp	747.00		NIST
Inp	742.00		NIST
Inp	742.90		NIST
Inp	737.70		NIST
Inp	755.80		NIST
Inp	749.70		NIST
Inp	748.00		NIST
Inp	744.00		NIST
Inp	747.00		NIST
Inp	742.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	754.00		NIST
Inp	743.00		NIST
Inp	743.30		NIST
Inp	735.70		NIST
Inp	Outlier 762.00		NIST
Inp	730.60		NIST
Inp	735.70		NIST
Inp	727.00		NIST
Inp	735.00		NIST
Inp	734.00		NIST
Inp	736.00		NIST
Inp	739.00		NIST
Inp	743.00		NIST
Inp	735.00		NIST
Inp	740.00		NIST
Inp	745.50		NIST
Inp	745.50		NIST
Inp	745.50		NIST
Inp	Outlier 768.00		NIST
Inp	Outlier 777.00		NIST
Inp	727.10		NIST
Inp	733.70		NIST
Inp	738.80		NIST
Inp	727.00		NIST
Inp	734.00		NIST
Inp	739.00		NIST
Inp	728.00		NIST
Inp	734.00		NIST
Inp	739.00		NIST
Inp	744.00		NIST
Inp	736.00		NIST
Inp	729.06		NIST
Inp	729.10		NIST
Inp	729.00		NIST
Inp	745.00		NIST
Inp	736.00		NIST
Inp	740.00		NIST
Inp	760.00		NIST
Inp	743.00		NIST
Inp	740.00		NIST
Inp	739.00		NIST
Inp	743.00		NIST
Inp	748.00		NIST
Inp	739.00		NIST
Inp	736.00		NIST
Inp	729.06		NIST
I	[847.00; 888.00]
I	888.00		NIST
I	870.00		NIST
I	879.00		NIST
I	873.00		NIST
I	866.00		NIST
I	888.00		NIST
I	887.90		NIST
I	870.00		NIST
I	879.20		NIST
I	887.90		NIST
I	870.00		NIST
I	879.20		NIST
I	847.00		NIST
I	852.00		NIST
I	847.00		NIST
I	888.00		NIST
I	870.00		NIST
Tboil	378.27	K	Joback Calculated Property
Tc	582.97	K	Joback Calculated Property
Tfus	[147.30; 152.15]	K
Tfus	150.05 ± 0.10	K	NIST
Tfus	149.70 ± 1.00	K	NIST
Tfus	150.30 ± 2.00	K	NIST
Tfus	147.30 ± 2.00	K	NIST
Tfus	152.15 ± 0.50	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
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
ΔvapH	34.80	kJ/mol	355.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[273.18; 403.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37765e+01
Coefficient B			-2.96157e+03
Coefficient C			-5.36190e+01
Temperature range, min.			273.18
Temperature range, max.			403.48
Pvap	1.33	kPa	273.18	Calculated Property
Pvap	3.07	kPa	287.66	Calculated Property
Pvap	6.42	kPa	302.14	Calculated Property
Pvap	12.37	kPa	316.61	Calculated Property
Pvap	22.27	kPa	331.09	Calculated Property
Pvap	37.80	kPa	345.57	Calculated Property
Pvap	61.05	kPa	360.05	Calculated Property
Pvap	94.41	kPa	374.52	Calculated Property
Pvap	140.62	kPa	389.00	Calculated Property
Pvap	202.65	kPa	403.48	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3-methyl-.

Sources

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

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