Chemical Properties of 3-[1-METHYLETHYL]-1-CYCLOHEXENE

InChI

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

InChI Key

HKZXDFQIKRFLMW-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC(C)C1C=CCCC1

Molecular Weight¹

124.23

Other Names

• 3-isopropylcyclohexene
• 3-Isopropylcyclohexene-1

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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
ΔfusH°	8.60	kJ/mol	Joback Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Inp	[915.90; 956.00]
Inp	926.50		NIST
Inp	926.10		NIST
Inp	921.00		NIST
Inp	924.00		NIST
Inp	948.00		NIST
Inp	956.00		NIST
Inp	915.90		NIST
Inp	921.00		NIST
Ip	[1043.80; 1093.00]
Ip	1049.00		NIST
Ip	1081.00		NIST
Ip	1093.00		NIST
Ip	1070.00		NIST
Ip	1081.00		NIST
Ip	1062.80		NIST
Ip	1043.80		NIST
Ip	1053.90		NIST
Ip	1049.00		NIST
Ip	1062.80		NIST
Tboil	421.22	K	Relay (1.0) Calculated Property
Tfus	169.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[151.50; 437.96]	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			-6.48000e+01
Coefficient B			9.30840e-01
Coefficient C			-5.37280e-04
Coefficient D			1.09200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.50	J/mol×K	273.00	Calculated Property
Cp,gas	202.10	J/mol×K	353.78	Calculated Property
Cp,gas	247.20	J/mol×K	434.56	Calculated Property
Cp,gas	287.15	J/mol×K	515.33	Calculated Property
Cp,gas	322.29	J/mol×K	596.11	Calculated Property
Cp,gas	352.97	J/mol×K	676.89	Calculated Property
Cp,gas	379.53	J/mol×K	757.67	Calculated Property
Cp,gas	402.32	J/mol×K	838.44	Calculated Property
Cp,gas	421.68	J/mol×K	919.22	Calculated Property
Cp,gas	437.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0107110; 0.0002247]	Pa×s	[184.33; 440.83]	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			-1.11779e+01
Coefficient B			1.22421e+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.			184.33
Temperature range, max.			440.83
η	0.0107110	Pa×s	184.33	Calculated Property
η	0.0044014	Pa×s	212.83	Calculated Property
η	0.0022314	Pa×s	241.33	Calculated Property
η	0.0013058	Pa×s	269.83	Calculated Property
η	0.0008465	Pa×s	298.33	Calculated Property
η	0.0005919	Pa×s	326.83	Calculated Property
η	0.0004383	Pa×s	355.33	Calculated Property
η	0.0003394	Pa×s	383.83	Calculated Property
η	0.0002722	Pa×s	412.33	Calculated Property
η	0.0002247	Pa×s	440.83	Calculated Property

Similar Compounds

Find more compounds similar to 3-[1-METHYLETHYL]-1-CYCLOHEXENE.

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

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