Chemical Properties of Cyclohexene, 4-ethenyl- (CAS 100-40-3)

InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2

InChI Key

BBDKZWKEPDTENS-UHFFFAOYSA-N

Formula

C8H12

SMILES

C=CC1CC=CCC1

Molecular Weight¹

108.18

CAS

100-40-3

Other Names

• 1,2,3,4-Tetrahydrostyrene
• 1-Cyclohexene, 4-vinyl-
• 1-Vinyl-3-cyclohexene
• 1-Vinylcyclohex-3-ene
• 1-Vinylcyclohexene-3
• 4-ETHENYLCYCLOHEXENE
• 4-Ethenyl-1-cyclohexene
• 4-VINYL-1-CYCLOHEXENE
• 4-VINYLCYCLOHEXENE
• 4-Vinylcyclohexene-1
• Butadiene dimer
• Cyclohexene, 4-vinyl-
• Cyclohexenylethylene
• NCI-C54999
• NSC 15760
• Vinylcyclohexene

• 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_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_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
ΔcH°liquid	[-4892.90; -4889.80]	kJ/mol
ΔcH°liquid	-4889.80	kJ/mol	NIST
ΔcH°liquid	-4892.90 ± 1.30	kJ/mol	NIST
ΔfG°	158.73	kJ/mol	Joback Calculated Property
ΔfH°gas	69.50 ± 1.50	kJ/mol	NIST
ΔfH°liquid	29.70 ± 1.30	kJ/mol	NIST
ΔfusH°	8.25	kJ/mol	Joback Calculated Property
ΔvapH°	[38.30; 39.80]	kJ/mol
ΔvapH°	39.61	kJ/mol	NIST
ΔvapH°	38.30	kJ/mol	NIST
ΔvapH°	39.80	kJ/mol	NIST
IE	[8.80; 8.93]	eV
IE	8.80 ± 0.10	eV	NIST
IE	8.93 ± 0.02	eV	NIST
log10WS	-2.53		Crippen Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[120.10; 850.30]
Inp	838.00		NIST
Inp	833.00		NIST
Inp	829.50		NIST
Inp	825.10		NIST
Inp	850.30		NIST
Inp	843.60		NIST
Inp	839.00		NIST
Inp	833.00		NIST
Inp	838.00		NIST
Inp	833.00		NIST
Inp	840.00		NIST
Inp	848.00		NIST
Inp	833.00		NIST
Inp	809.00		NIST
Inp	818.00		NIST
Inp	824.00		NIST
Inp	831.00		NIST
Inp	824.00		NIST
Inp	838.10		NIST
Inp	822.00		NIST
Inp	842.00		NIST
Inp	834.00		NIST
Inp	828.00		NIST
Inp	833.00		NIST
Inp	Outlier 120.10		NIST
Inp	834.00		NIST
Inp	833.00		NIST
Inp	838.00		NIST
Inp	843.60		NIST
Inp	840.00		NIST
Inp	824.00		NIST
I	1039.00		NIST
Tboil	[399.70; 403.20]	K
Tboil	399.70	K	NIST
Tboil	402.20	K	NIST
Tboil	403.20 ± 2.00	K	NIST
Tc	605.48	K	Joback Calculated Property
Tfus	186.30	K	Joback Calculated Property
Vc	0.384	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.71; 266.50]	J/mol×K	[397.83; 605.48]
Cp,gas	184.71	J/mol×K	397.83	Joback Calculated Property
Cp,gas	200.36	J/mol×K	432.44	Joback Calculated Property
Cp,gas	215.17	J/mol×K	467.05	Joback Calculated Property
Cp,gas	229.16	J/mol×K	501.66	Joback Calculated Property
Cp,gas	242.36	J/mol×K	536.27	Joback Calculated Property
Cp,gas	254.79	J/mol×K	570.87	Joback Calculated Property
Cp,gas	266.50	J/mol×K	605.48	Joback Calculated Property
η	[0.0002575; 0.0048287]	Pa×s	[186.30; 397.83]
η	0.0048287	Pa×s	186.30	Joback Calculated Property
η	0.0020084	Pa×s	221.56	Joback Calculated Property
η	0.0010628	Pa×s	256.81	Joback Calculated Property
η	0.0006558	Pa×s	292.07	Joback Calculated Property
η	0.0004491	Pa×s	327.32	Joback Calculated Property
η	0.0003310	Pa×s	362.58	Joback Calculated Property
η	0.0002575	Pa×s	397.83	Joback Calculated Property
ΔvapH	[33.50; 40.10]	kJ/mol	[348.50; 402.20]
ΔvapH	40.10	kJ/mol	348.50	NIST
ΔvapH	33.50	kJ/mol	402.20	NIST
Pvap	[50.00; 100.00]	kPa	[377.75; 401.42]
Pvap	50.00	kPa	377.75	Isobari...
Pvap	100.00	kPa	401.42	Isobari...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[292.20; 441.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36542e+01
Coefficient B			-3.31338e+03
Coefficient C			-4.43130e+01
Temperature range, min.			292.20
Temperature range, max.			441.47
Pvap	1.33	kPa	292.20	Calculated Property
Pvap	3.08	kPa	308.79	Calculated Property
Pvap	6.46	kPa	325.37	Calculated Property
Pvap	12.46	kPa	341.96	Calculated Property
Pvap	22.42	kPa	358.54	Calculated Property
Pvap	38.03	kPa	375.13	Calculated Property
Pvap	61.35	kPa	391.71	Calculated Property
Pvap	94.75	kPa	408.30	Calculated Property
Pvap	140.88	kPa	424.88	Calculated Property
Pvap	202.65	kPa	441.47	Calculated Property
Pvap	[3.48e-07; 3647.00]	kPa	[164.00; 599.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.18966e+02
Coefficient B			-8.81256e+03
Coefficient C			-1.57779e+01
Coefficient D			1.35197e-05
Temperature range, min.			164.00
Temperature range, max.			599.00
Pvap	3.48e-07	kPa	164.00	Calculated Property
Pvap	1.55e-03	kPa	212.33	Calculated Property
Pvap	0.18	kPa	260.67	Calculated Property
Pvap	3.59	kPa	309.00	Calculated Property
Pvap	26.52	kPa	357.33	Calculated Property
Pvap	111.41	kPa	405.67	Calculated Property
Pvap	334.18	kPa	454.00	Calculated Property
Pvap	818.98	kPa	502.33	Calculated Property
Pvap	1783.82	kPa	550.67	Calculated Property
Pvap	3647.00	kPa	599.00	Calculated Property

Similar Compounds

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

Mixtures

• Cyclohexene, 4-ethenyl- + 3-Pentenenitrile
• Cyclohexene, 4-ethenyl- + Dimethyl Sulfoxide
• Hexadecane + Cyclohexene, 4-ethenyl-
• Ethanol, 2-methoxy- + Cyclohexene, 4-ethenyl-

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Relation between characteristic molecular volume and hydrophobicity of nonpolar molecules
• Thermodynamics of solvation in propylene glycol and methyl cellosolve
• Vapour pressures and isobaric (vapour + liquid) equilibrium data for the binary system of (RS-4-vinyl-1-cyclohexene + ZE-3-pentenenitrile) at (50.0 and 100.0) kPa
• Isobaric Vapor Liquid Equilibria for Binary Mixtures of Z,E-2-Methyl-2-butenenitrile, R,S-4-Vinyl-1-cyclohexene, and Z,E-3-Pentenenitrile
• Vapor-Liquid Equilibrium for Binary Mixtures of 3-Cyano-1-butene + RS-4-Vinyl-1-cyclohexene, 3-Cyano-1-butene + ZE-1-Cyano-2-butene and RS-4-Vinyl-1-cyclohexene + ZE-1-Cyano-2-butene
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.