Chemical Properties of 1-Heptylcyclohexene (CAS 15232-86-7)

InChI

InChI=1S/C13H24/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h11H,2-10,12H2,1H3

InChI Key

XDUFGMTUKHRHSO-UHFFFAOYSA-N

Formula

C13H24

SMILES

CCCCCCCC1=CCCCC1

Molecular Weight¹

180.33

CAS

15232-86-7

Other Names

• 1-Heptyl-1-cyclohexene
• Cyclohexene,1-heptyl-

• 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	-172.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.02	kJ/mol	Joback Calculated Property
ΔvapH°	62.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.37 ± 0.02	eV	NIST
logPoct/wat	4.847		Crippen Calculated Property
McVol	178.870	ml/mol	McGowan Calculated Property
Inp	[1342.00; 1344.00]
Inp	1344.00		NIST
Inp	1342.00		NIST
I	[1470.00; 1518.00]
I	1486.00		NIST
I	1498.00		NIST
I	1501.00		NIST
I	1513.00		NIST
I	Outlier 1518.00		NIST
I	1470.00		NIST
I	1477.00		NIST
I	1482.00		NIST
I	1488.00		NIST
I	1493.00		NIST
I	1499.00		NIST
I	1504.00		NIST
I	1476.80		NIST
I	1482.50		NIST
I	1488.20		NIST
I	1493.40		NIST
I	1499.10		NIST
I	1503.90		NIST
I	1486.00		NIST
Tboil	515.33	K	Relay (1.0) Calculated Property
Tfus	223.12	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	[428.76; 532.88]	J/mol×K	[525.20; 718.22]
Cp,gas	428.76	J/mol×K	525.20	Joback Calculated Property
Cp,gas	448.44	J/mol×K	557.37	Joback Calculated Property
Cp,gas	467.15	J/mol×K	589.54	Joback Calculated Property
Cp,gas	484.92	J/mol×K	621.71	Joback Calculated Property
Cp,gas	501.78	J/mol×K	653.88	Joback Calculated Property
Cp,gas	517.75	J/mol×K	686.05	Joback Calculated Property
Cp,gas	532.88	J/mol×K	718.22	Joback Calculated Property
η	[0.0001931; 0.0057111]	Pa×s	[261.17; 525.20]
η	0.0057111	Pa×s	261.17	Joback Calculated Property
η	0.0021619	Pa×s	305.18	Joback Calculated Property
η	0.0010454	Pa×s	349.18	Joback Calculated Property
η	0.0005948	Pa×s	393.19	Joback Calculated Property
η	0.0003791	Pa×s	437.19	Joback Calculated Property
η	0.0002624	Pa×s	481.20	Joback Calculated Property
η	0.0001931	Pa×s	525.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptylcyclohexene.

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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