Chemical Properties of Cyclohexene, 1-hexyl-

InChI

InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-9,11H2,1H3

InChI Key

NEFDOOJYBCQHHV-UHFFFAOYSA-N

Formula

C12H22

SMILES

CCCCCCC1=CCCCC1

Molecular Weight¹

166.31

Other Names

• 1-hexyl-1-cyclohexene

• 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).
• 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
ΔfH°gas	-149.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.43	kJ/mol	Joback Calculated Property
ΔvapH°	57.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.37 ± 0.03	eV	NIST
logPoct/wat	4.457		Crippen Calculated Property
McVol	164.780	ml/mol	McGowan Calculated Property
Inp	[1242.00; 1244.00]
Inp	1244.00		NIST
Inp	1242.00		NIST
Inp	1243.00		NIST
Inp	1243.00		NIST
Inp	1242.00		NIST
I	[1342.40; 1419.00]
I	Outlier 1342.40		NIST
I	1350.00		NIST
I	1354.60		NIST
I	1388.00		NIST
I	1399.00		NIST
I	1403.00		NIST
I	1414.00		NIST
I	1419.00		NIST
I	1373.00		NIST
I	1379.00		NIST
I	1384.00		NIST
I	1389.00		NIST
I	1395.00		NIST
I	1399.00		NIST
I	1404.00		NIST
I	1373.00		NIST
I	1378.60		NIST
I	1384.20		NIST
I	1389.10		NIST
I	1394.60		NIST
I	1399.20		NIST
I	1404.30		NIST
I	1388.00		NIST
Tboil	493.00 ± 5.00	K	NIST
Tfus	209.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[379.55; 480.45]	J/mol×K	[502.32; 697.83]
Cp,gas	379.55	J/mol×K	502.32	Joback Calculated Property
Cp,gas	398.64	J/mol×K	534.90	Joback Calculated Property
Cp,gas	416.77	J/mol×K	567.49	Joback Calculated Property
Cp,gas	433.99	J/mol×K	600.07	Joback Calculated Property
Cp,gas	450.33	J/mol×K	632.66	Joback Calculated Property
Cp,gas	465.80	J/mol×K	665.24	Joback Calculated Property
Cp,gas	480.45	J/mol×K	697.83	Joback Calculated Property
η	[0.0002099; 0.0059743]	Pa×s	[249.90; 502.32]
η	0.0059743	Pa×s	249.90	Joback Calculated Property
η	0.0022871	Pa×s	291.97	Joback Calculated Property
η	0.0011151	Pa×s	334.04	Joback Calculated Property
η	0.0006385	Pa×s	376.11	Joback Calculated Property
η	0.0004090	Pa×s	418.18	Joback Calculated Property
η	0.0002842	Pa×s	460.25	Joback Calculated Property
η	0.0002099	Pa×s	502.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1-hexyl-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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