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 : 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
I	[1043.80; 1093.00]
I	1049.00		NIST
I	1081.00		NIST
I	1093.00		NIST
I	1070.00		NIST
I	1081.00		NIST
I	1062.80		NIST
I	1043.80		NIST
I	1053.90		NIST
I	1049.00		NIST
I	1062.80		NIST
Tboil	421.22	K	Relay (1.0) Calculated Property
Tfus	170.55	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.39; 335.48]	J/mol×K	[423.59; 629.46]
Cp,gas	241.39	J/mol×K	423.59	Joback Calculated Property
Cp,gas	259.26	J/mol×K	457.90	Joback Calculated Property
Cp,gas	276.23	J/mol×K	492.21	Joback Calculated Property
Cp,gas	292.30	J/mol×K	526.53	Joback Calculated Property
Cp,gas	307.52	J/mol×K	560.84	Joback Calculated Property
Cp,gas	321.90	J/mol×K	595.15	Joback Calculated Property
Cp,gas	335.48	J/mol×K	629.46	Joback Calculated Property
η	[0.0002516; 0.0107110]	Pa×s	[184.33; 423.59]
η	0.0107110	Pa×s	184.33	Joback Calculated Property
η	0.0032873	Pa×s	224.21	Joback Calculated Property
η	0.0014413	Pa×s	264.08	Joback Calculated Property
η	0.0007846	Pa×s	303.96	Joback Calculated Property
η	0.0004918	Pa×s	343.84	Joback Calculated Property
η	0.0003397	Pa×s	383.71	Joback Calculated Property
η	0.0002516	Pa×s	423.59	Joback 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

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.