Chemical Properties of trans-3,6-dimethylcyclohexene (CAS 19550-40-4)

InChI

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

InChI Key

ADPYSZNUBWNLDH-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1C=CC(C)CC1

Molecular Weight¹

110.20

CAS

19550-40-4

Other Names

• cis-3,6-dimethylcyclohexene
• Cyclohexene, 3,6-dimethyl-, cis
• Cyclohexene, 3,6-dimethyl-

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.2473		Relay (1.0) Calculated Property
ΔfH°gas	-49.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.60	kJ/mol	Joback Calculated Property
ΔvapH°	37.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Pc	3163.27	kPa	Joback Calculated Property
Inp	[779.30; 795.50]
Inp	790.80		NIST
Inp	779.30		NIST
Inp	795.50		NIST
Inp	789.80		NIST
Inp	790.80		NIST
I	924.00		NIST
Tboil	389.32	K	Relay (1.0) Calculated Property
Tc	562.64	K	Relay (1.0) Calculated Property
Tfus	199.49	K	Relay (1.0) Calculated Property
Vc	0.399	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[132.86; 392.49]	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			-5.62700e+01
Coefficient B			8.03440e-01
Coefficient C			-4.24280e-04
Coefficient D			6.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.86	J/mol×K	273.00	Calculated Property
Cp,gas	177.95	J/mol×K	353.78	Calculated Property
Cp,gas	218.46	J/mol×K	434.56	Calculated Property
Cp,gas	254.62	J/mol×K	515.33	Calculated Property
Cp,gas	286.65	J/mol×K	596.11	Calculated Property
Cp,gas	314.76	J/mol×K	676.89	Calculated Property
Cp,gas	339.18	J/mol×K	757.67	Calculated Property
Cp,gas	360.13	J/mol×K	838.44	Calculated Property
Cp,gas	377.83	J/mol×K	919.22	Calculated Property
Cp,gas	392.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029050; 0.0002199]	Pa×s	[183.82; 419.47]	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			-1.04357e+01
Coefficient B			8.44540e+02
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.			183.82
Temperature range, max.			419.47
η	0.0029050	Pa×s	183.82	Calculated Property
η	0.0016382	Pa×s	210.00	Calculated Property
η	0.0010489	Pa×s	236.19	Calculated Property
η	0.0007341	Pa×s	262.37	Calculated Property
η	0.0005482	Pa×s	288.55	Calculated Property
η	0.0004297	Pa×s	314.74	Calculated Property
η	0.0003497	Pa×s	340.92	Calculated Property
η	0.0002931	Pa×s	367.11	Calculated Property
η	0.0002514	Pa×s	393.29	Calculated Property
η	0.0002199	Pa×s	419.47	Calculated Property

Similar Compounds

Find more compounds similar to trans-3,6-dimethylcyclohexene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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