Chemical Properties of BENZENE, (CYCLOPENTYLIDENEPHENYLMETHYL)-

InChI

InChI=1S/C18H18/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

InChI Key

POPQCIZUXRKKGP-UHFFFAOYSA-N

Formula

C18H18

SMILES

c1ccc(C(=C2CCCC2)c2ccccc2)cc1

Molecular Weight¹

234.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	22.34	kJ/mol	Joback Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
logPoct/wat	5.062		Crippen Calculated Property
McVol	201.800	ml/mol	McGowan Calculated Property
Tboil	619.26	K	Relay (1.0) Calculated Property
Tfus	[334.20; 335.00]	K
Tfus	335.00 ± 4.00	K	NIST
Tfus	334.20 ± 2.00	K	NIST

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	[542.34; 641.01]	J/mol×K	[691.07; 955.53]
Cp,gas	542.34	J/mol×K	691.07	Joback Calculated Property
Cp,gas	562.65	J/mol×K	735.15	Joback Calculated Property
Cp,gas	581.20	J/mol×K	779.22	Joback Calculated Property
Cp,gas	598.14	J/mol×K	823.30	Joback Calculated Property
Cp,gas	613.65	J/mol×K	867.38	Joback Calculated Property
Cp,gas	627.88	J/mol×K	911.45	Joback Calculated Property
Cp,gas	641.01	J/mol×K	955.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to BENZENE, (CYCLOPENTYLIDENEPHENYLMETHYL)-.

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.