Chemical Properties of Cyclohexene,1-hexyl- (CAS 3964-66-7)

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

166.30

CAS

3964-66-7

Other Names

• 1-hexyl-1-cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfG°	102.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.04	kJ/mol	Joback Calculated Property
ΔfusH°	18.43	kJ/mol	Joback Calculated Property
ΔvapH°	44.00	kJ/mol	Joback Calculated Property
IE	8.37 ± 0.03	eV	NIST
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.457		Crippen Calculated Property
McVol	164.780	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1242.00; 1244.00]
Inp	1243.00		NIST
Inp	1244.00		NIST
Inp	1242.00		NIST
Inp	1243.00		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
Tc	697.83	K	Joback Calculated Property
Tfus	249.90	K	Joback Calculated Property
Vc	0.627	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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