Chemical Properties of Cyclohexene, 1,2-dimethyl- (CAS 1674-10-8)

InChI

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

InChI Key

TXNWMICHNKMOBR-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1=C(C)CCCC1

Molecular Weight¹

110.20

CAS

1674-10-8

Other Names

• 1,2-Dimethyl-1-cyclohexene
• 1,2-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).
• 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.
• 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	-56.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.68	kJ/mol	Joback Calculated Property
logPoct/wat	2.897		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Inp	[868.00; 868.00]
Inp	868.00		NIST
Inp	868.00		NIST
Tboil	[388.00; 439.00]	K
Tboil	388.00 ± 5.00	K	NIST
Tboil	408.90 ± 2.00	K	NIST
Tboil	439.00 ± 2.00	K	NIST
Tfus	[189.00; 189.10]	K
Tfus	189.10	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	189.00 ± 0.01	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[133.44; 373.09]	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			-3.95500e+01
Coefficient B			7.37440e-01
Coefficient C			-4.01000e-04
Coefficient D			7.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.44	J/mol×K	273.00	Calculated Property
Cp,gas	174.53	J/mol×K	353.78	Calculated Property
Cp,gas	211.44	J/mol×K	434.56	Calculated Property
Cp,gas	244.41	J/mol×K	515.33	Calculated Property
Cp,gas	273.69	J/mol×K	596.11	Calculated Property
Cp,gas	299.52	J/mol×K	676.89	Calculated Property
Cp,gas	322.13	J/mol×K	757.67	Calculated Property
Cp,gas	341.77	J/mol×K	838.44	Calculated Property
Cp,gas	358.67	J/mol×K	919.22	Calculated Property
Cp,gas	373.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085627; 0.0002103]	Pa×s	[189.05; 435.88]	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			-1.13057e+01
Coefficient B			1.23740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			189.05
Temperature range, max.			435.88
η	0.0085627	Pa×s	189.05	Calculated Property
η	0.0037366	Pa×s	216.48	Calculated Property
η	0.0019649	Pa×s	243.90	Calculated Property
η	0.0011766	Pa×s	271.33	Calculated Property
η	0.0007741	Pa×s	298.75	Calculated Property
η	0.0005465	Pa×s	326.18	Calculated Property
η	0.0004072	Pa×s	353.60	Calculated Property
η	0.0003165	Pa×s	381.03	Calculated Property
η	0.0002545	Pa×s	408.45	Calculated Property
η	0.0002103	Pa×s	435.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[298.78; 436.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39946e+01
Coefficient B			-3.26794e+03
Coefficient C			-6.03660e+01
Temperature range, min.			298.78
Temperature range, max.			436.72
Pvap	1.33	kPa	298.78	Calculated Property
Pvap	3.05	kPa	314.11	Calculated Property
Pvap	6.35	kPa	329.43	Calculated Property
Pvap	12.23	kPa	344.76	Calculated Property
Pvap	22.01	kPa	360.09	Calculated Property
Pvap	37.40	kPa	375.41	Calculated Property
Pvap	60.52	kPa	390.74	Calculated Property
Pvap	93.83	kPa	406.07	Calculated Property
Pvap	140.16	kPa	421.39	Calculated Property
Pvap	202.64	kPa	436.72	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1,2-dimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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