Chemical Properties of 1,3,5-Trimethyl-1-cyclohexene,c&t (CAS 3643-64-9)

InChI

InChI=1S/C9H16/c1-7-4-8(2)6-9(3)5-7/h4,7,9H,5-6H2,1-3H3

InChI Key

PKHOIUJRGGWFEF-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1=CC(C)CC(C)C1

Molecular Weight¹

124.22

CAS

3643-64-9

Other Names

• Cyclohexene, 1,3,5-trimethyl-
• 1,3,5-Trimethyl-1-cyclohexene,c&t

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Tboil	[413.00; 414.40]	K
Tboil	414.20	K	NIST
Tboil	413.00 ± 3.00	K	NIST
Tboil	414.40 ± 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	[156.63; 441.04]	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			-4.28800e+01
Coefficient B			8.38960e-01
Coefficient C			-4.11640e-04
Coefficient D			5.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.63	J/mol×K	273.00	Calculated Property
Cp,gas	204.91	J/mol×K	353.78	Calculated Property
Cp,gas	248.61	J/mol×K	434.56	Calculated Property
Cp,gas	287.89	J/mol×K	515.33	Calculated Property
Cp,gas	322.95	J/mol×K	596.11	Calculated Property
Cp,gas	353.95	J/mol×K	676.89	Calculated Property
Cp,gas	381.08	J/mol×K	757.67	Calculated Property
Cp,gas	404.52	J/mol×K	838.44	Calculated Property
Cp,gas	424.45	J/mol×K	919.22	Calculated Property
Cp,gas	441.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021413; 0.0002253]	Pa×s	[207.61; 438.67]	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			-1.04209e+01
Coefficient B			8.87440e+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.			207.61
Temperature range, max.			438.67
η	0.0021413	Pa×s	207.61	Calculated Property
η	0.0013378	Pa×s	233.28	Calculated Property
η	0.0009175	Pa×s	258.96	Calculated Property
η	0.0006735	Pa×s	284.63	Calculated Property
η	0.0005204	Pa×s	310.30	Calculated Property
η	0.0004182	Pa×s	335.98	Calculated Property
η	0.0003467	Pa×s	361.65	Calculated Property
η	0.0002947	Pa×s	387.32	Calculated Property
η	0.0002555	Pa×s	413.00	Calculated Property
η	0.0002253	Pa×s	438.67	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Trimethyl-1-cyclohexene,c&t.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.