Chemical Properties of Cyclohexene, 1,4-dimethyl- (CAS 2808-79-9)

InChI

InChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h3,8H,4-6H2,1-2H3

InChI Key

KMGDYKOGDOVDCW-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1=CCC(C)CC1

Molecular Weight¹

110.20

CAS

2808-79-9

Other Names

• 1,4-Dimethyl-1-cyclohexene
• 1,4-Dimethylcyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-49.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.14	kJ/mol	Joback Calculated Property
ΔvapH°	39.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Inp	[825.00; 836.00]
Inp	Outlier 836.00		NIST
Inp	825.00		NIST
Inp	827.00		NIST
Inp	826.70		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
I	[946.00; 946.00]
I	946.00		NIST
I	946.00		NIST
Tboil	[398.00; 398.00]	K
Tboil	398.00 ± 3.00	K	NIST
Tboil	398.00 ± 3.00	K	NIST
Tfus	213.75 ± 0.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.15; 382.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.79100e+01
Coefficient B			7.70440e-01
Coefficient C			-4.12640e-04
Coefficient D			7.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.15	J/mol×K	273.00	Calculated Property
Cp,gas	176.24	J/mol×K	353.78	Calculated Property
Cp,gas	214.95	J/mol×K	434.56	Calculated Property
Cp,gas	249.52	J/mol×K	515.33	Calculated Property
Cp,gas	280.17	J/mol×K	596.11	Calculated Property
Cp,gas	307.14	J/mol×K	676.89	Calculated Property
Cp,gas	330.65	J/mol×K	757.67	Calculated Property
Cp,gas	350.95	J/mol×K	838.44	Calculated Property
Cp,gas	368.25	J/mol×K	919.22	Calculated Property
Cp,gas	382.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024771; 0.0002167]	Pa×s	[213.75; 427.70]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.08707e+01
Coefficient B			1.04097e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			213.75
Temperature range, max.			427.70
η	0.0024771	Pa×s	213.75	Calculated Property
η	0.0015215	Pa×s	237.52	Calculated Property
η	0.0010212	Pa×s	261.30	Calculated Property
η	0.0007325	Pa×s	285.07	Calculated Property
η	0.0005530	Pa×s	308.84	Calculated Property
η	0.0004346	Pa×s	332.61	Calculated Property
η	0.0003527	Pa×s	356.39	Calculated Property
η	0.0002938	Pa×s	380.16	Calculated Property
η	0.0002501	Pa×s	403.93	Calculated Property
η	0.0002167	Pa×s	427.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[291.68; 424.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41175e+01
Coefficient B			-3.22526e+03
Coefficient C			-5.84700e+01
Temperature range, min.			291.68
Temperature range, max.			424.73
Pvap	1.33	kPa	291.68	Calculated Property
Pvap	3.04	kPa	306.46	Calculated Property
Pvap	6.32	kPa	321.25	Calculated Property
Pvap	12.15	kPa	336.03	Calculated Property
Pvap	21.87	kPa	350.81	Calculated Property
Pvap	37.19	kPa	365.60	Calculated Property
Pvap	60.24	kPa	380.38	Calculated Property
Pvap	93.53	kPa	395.16	Calculated Property
Pvap	139.94	kPa	409.95	Calculated Property
Pvap	202.67	kPa	424.73	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1,4-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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