Chemical Properties of 1-Phenyl-2-(2-benzo[c]phenathryl)ethylene, trans

InChI

InChI=1S/C26H18/c1-2-6-19(7-3-1)10-11-20-12-13-22-15-17-23-16-14-21-8-4-5-9-24(21)26(23)25(22)18-20/h1-18H/b11-10+

InChI Key

QUSCSNXGRSOOHC-ZHACJKMWSA-N

Formula

C26H18

SMILES

C(=Cc1ccc2ccc3ccc4ccccc4c3c2c1)c1ccccc1

Molecular Weight¹

330.42

• 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	457.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.27	kJ/mol	Joback Calculated Property
ΔvapH°	137.75	kJ/mol	Relay (1.0) Calculated Property
IE	7.19	eV	Relay (1.0) Calculated Property
logPoct/wat	7.317		Crippen Calculated Property
McVol	267.000	ml/mol	McGowan Calculated Property
Inp	[3510.00; 3510.00]
Inp	3510.00		NIST
Inp	3510.00		NIST
Tboil	811.96	K	Relay (1.0) Calculated Property
Tfus	489.88	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.18; 811.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.54170e+02
Coefficient B			2.14640e+00
Coefficient C			-1.74584e-03
Coefficient D			5.65200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.18	J/mol×K	273.00	Calculated Property
Cp,gas	411.70	J/mol×K	353.78	Calculated Property
Cp,gas	495.26	J/mol×K	434.56	Calculated Property
Cp,gas	565.65	J/mol×K	515.33	Calculated Property
Cp,gas	624.67	J/mol×K	596.11	Calculated Property
Cp,gas	674.09	J/mol×K	676.89	Calculated Property
Cp,gas	715.70	J/mol×K	757.67	Calculated Property
Cp,gas	751.30	J/mol×K	838.44	Calculated Property
Cp,gas	782.67	J/mol×K	919.22	Calculated Property
Cp,gas	811.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012046; 0.0004413]	Pa×s	[566.20; 837.45]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.82161e+00
Coefficient B			1.75522e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			566.20
Temperature range, max.			837.45
η	0.0012046	Pa×s	566.20	Calculated Property
η	0.0010299	Pa×s	596.34	Calculated Property
η	0.0008939	Pa×s	626.48	Calculated Property
η	0.0007861	Pa×s	656.62	Calculated Property
η	0.0006990	Pa×s	686.76	Calculated Property
η	0.0006278	Pa×s	716.90	Calculated Property
η	0.0005688	Pa×s	747.03	Calculated Property
η	0.0005192	Pa×s	777.17	Calculated Property
η	0.0004773	Pa×s	807.31	Calculated Property
η	0.0004413	Pa×s	837.45	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-2-(2-benzo[c]phenathryl)ethylene, trans.

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

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