Chemical Properties of Cyclohexane, 2-propenyl- (CAS 2114-42-3)

InChI

InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2

InChI Key

KVOZXXSUSRZIKD-UHFFFAOYSA-N

Formula

C9H16

SMILES

C=CCC1CCCCC1

Molecular Weight¹

124.22

CAS

2114-42-3

Other Names

• Cyclohexane, allyl-
• Allylcyclohexane
• 1-Cyclohexyl-2-propene
• 1-Propene, 3-cyclohexyl-
• 3-Cyclohexyl-1-propene

• 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_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).
• 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°	137.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-49.34	kJ/mol	Joback Calculated Property
ΔfusH°	9.62	kJ/mol	Joback Calculated Property
ΔvapH°	[44.00; 44.00]	kJ/mol
ΔvapH°	44.00 ± 0.30	kJ/mol	NIST
ΔvapH°	44.00 ± 0.20	kJ/mol	NIST
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[918.00; 935.00]
Inp	926.00		NIST
Inp	925.90		NIST
Inp	Outlier 935.00		NIST
Inp	919.00		NIST
Inp	921.00		NIST
Inp	922.50		NIST
Inp	919.00		NIST
Inp	918.00		NIST
Inp	918.00		NIST
Inp	919.00		NIST
Tboil	[400.23; 422.00]	K
Tboil	400.23 ± 0.15	K	NIST
Tboil	422.00 ± 4.00	K	NIST
Tc	624.96	K	Joback Calculated Property
Tfus	196.81	K	Joback Calculated Property
Vc	0.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.15; 334.12]	J/mol×K	[421.55; 624.96]
Cp,gas	239.15	J/mol×K	421.55	Joback Calculated Property
Cp,gas	257.19	J/mol×K	455.45	Joback Calculated Property
Cp,gas	274.31	J/mol×K	489.35	Joback Calculated Property
Cp,gas	290.53	J/mol×K	523.25	Joback Calculated Property
Cp,gas	305.89	J/mol×K	557.15	Joback Calculated Property
Cp,gas	320.41	J/mol×K	591.06	Joback Calculated Property
Cp,gas	334.12	J/mol×K	624.96	Joback Calculated Property
Cp,liquid	233.50	J/mol×K	298.15	NIST
η	[0.0002714; 0.0073334]	Pa×s	[196.81; 421.55]
η	0.0073334	Pa×s	196.81	Joback Calculated Property
η	0.0027285	Pa×s	234.27	Joback Calculated Property
η	0.0013333	Pa×s	271.72	Joback Calculated Property
η	0.0007750	Pa×s	309.18	Joback Calculated Property
η	0.0005065	Pa×s	346.64	Joback Calculated Property
η	0.0003596	Pa×s	384.09	Joback Calculated Property
η	0.0002714	Pa×s	421.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 2-propenyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.