Chemical Properties of 1,3-Dimethyl-1-cyclohexene (CAS 2808-76-6)

InChI

InChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h6-7H,3-5H2,1-2H3

InChI Key

XTCMQAVNRXZBRH-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1=CC(C)CCC1

Molecular Weight¹

110.20

CAS

2808-76-6

Other Names

• 1,3-Dimethyl cyclohexene
• 1,3-Dimethyl-3-cyclohexene
• Cyclohexene, 1,3-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.14	kJ/mol	Joback Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Inp	[825.00; 836.00]
Inp	836.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Tboil	[397.00; 400.20]	K
Tboil	400.20	K	NIST
Tboil	398.00 ± 4.00	K	NIST
Tboil	398.00 ± 3.00	K	NIST
Tboil	397.00 ± 3.00	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[133.15; 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	[0.0034105; 0.0002167]	Pa×s	[200.58; 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			200.58
Temperature range, max.			427.70
η	0.0034105	Pa×s	200.58	Calculated Property
η	0.0019095	Pa×s	225.82	Calculated Property
η	0.0012014	Pa×s	251.05	Calculated Property
η	0.0008226	Pa×s	276.29	Calculated Property
η	0.0006001	Pa×s	301.52	Calculated Property
η	0.0004597	Pa×s	326.76	Calculated Property
η	0.0003658	Pa×s	352.00	Calculated Property
η	0.0003002	Pa×s	377.23	Calculated Property
η	0.0002525	Pa×s	402.47	Calculated Property
η	0.0002167	Pa×s	427.70	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dimethyl-1-cyclohexene.

Sources

• 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

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