Chemical Properties of Cyclohexene, 3,5,5-trimethyl- (CAS 933-12-0)

InChI

InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3

InChI Key

CBERVMGFVLWZSU-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1C=CCC(C)(C)C1

Molecular Weight¹

124.22

CAS

933-12-0

Other Names

• 3,5,5-Trimethylcyclohexene
• «delta»-Cyclogeraniolene
• «delta»-Cyclogeraniolene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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.
• 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°	66.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.09	kJ/mol	Joback Calculated Property
ΔfusH°	6.90	kJ/mol	Joback Calculated Property
ΔvapH°	34.89	kJ/mol	Joback Calculated Property
log10WS	-2.85		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
Inp	[1182.00; 1182.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
Tboil	[406.73; 406.76]	K
Tboil	406.76 ± 0.20	K	NIST
Tboil	406.73 ± 0.30	K	NIST
Tboil	406.73 ± 0.30	K	NIST
Tc	629.34	K	Joback Calculated Property
Tfus	[181.18; 181.90]	K
Tfus	181.90 ± 0.20	K	NIST
Tfus	181.18 ± 0.30	K	NIST
Vc	0.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.29; 336.03]	J/mol×K	[419.60; 629.34]
Cp,gas	242.29	J/mol×K	419.60	Joback Calculated Property
Cp,gas	260.61	J/mol×K	454.56	Joback Calculated Property
Cp,gas	277.72	J/mol×K	489.51	Joback Calculated Property
Cp,gas	293.72	J/mol×K	524.47	Joback Calculated Property
Cp,gas	308.70	J/mol×K	559.43	Joback Calculated Property
Cp,gas	322.78	J/mol×K	594.39	Joback Calculated Property
Cp,gas	336.03	J/mol×K	629.34	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[298.60; 433.64]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44031e+01
Coefficient B			-3.44945e+03
Coefficient C			-5.42260e+01
Temperature range, min.			298.60
Temperature range, max.			433.64
Pvap	1.33	kPa	298.60	Calculated Property
Pvap	3.02	kPa	313.60	Calculated Property
Pvap	6.24	kPa	328.61	Calculated Property
Pvap	11.98	kPa	343.61	Calculated Property
Pvap	21.56	kPa	358.62	Calculated Property
Pvap	36.71	kPa	373.62	Calculated Property
Pvap	59.61	kPa	388.63	Calculated Property
Pvap	92.83	kPa	403.63	Calculated Property
Pvap	139.38	kPa	418.64	Calculated Property
Pvap	202.67	kPa	433.64	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3,5,5-trimethyl-.

Sources

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

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