Chemical Properties of 4-Cyclohex-3-enyl-cycloheptene

InChI

InChI=1S/C13H20/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h1,4,6,10,12-13H,2-3,5,7-9,11H2

InChI Key

FEBUIXOFJIMQFF-UHFFFAOYSA-N

Formula

C13H20

SMILES

C1=CC(C2CC=CCCC2)CCC1

Molecular Weight¹

176.30

• 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.
• 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	-32.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
ΔvapH°	64.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
logPoct/wat	4.089		Crippen Calculated Property
McVol	163.710	ml/mol	McGowan Calculated Property
Inp	[1417.00; 1449.00]
Inp	1417.00		NIST
Inp	1449.00		NIST
Tboil	525.09	K	Relay (1.0) Calculated Property
Tfus	259.95	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	[401.16; 528.50]	J/mol×K	[538.53; 779.84]
Cp,gas	401.16	J/mol×K	538.53	Joback Calculated Property
Cp,gas	426.48	J/mol×K	578.75	Joback Calculated Property
Cp,gas	450.08	J/mol×K	618.97	Joback Calculated Property
Cp,gas	472.03	J/mol×K	659.18	Joback Calculated Property
Cp,gas	492.38	J/mol×K	699.40	Joback Calculated Property
Cp,gas	511.18	J/mol×K	739.62	Joback Calculated Property
Cp,gas	528.50	J/mol×K	779.84	Joback Calculated Property
η	[0.0001897; 0.0093345]	Pa×s	[249.03; 538.53]
η	0.0093345	Pa×s	249.03	Joback Calculated Property
η	0.0028788	Pa×s	297.28	Joback Calculated Property
η	0.0012331	Pa×s	345.53	Joback Calculated Property
η	0.0006502	Pa×s	393.78	Joback Calculated Property
η	0.0003942	Pa×s	442.03	Joback Calculated Property
η	0.0002638	Pa×s	490.28	Joback Calculated Property
η	0.0001897	Pa×s	538.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyclohex-3-enyl-cycloheptene.

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.
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