Chemical Properties of 1,2-bis-(3-phenathryl)ethylene, trans

InChI

InChI=1S/C30H20/c1-3-7-27-23(5-1)16-17-26-19-21(12-18-29(26)27)9-10-22-11-13-25-15-14-24-6-2-4-8-28(24)30(25)20-22/h1-20H/b10-9+

InChI Key

ACLDLNMHUAHHCL-MDZDMXLPSA-N

Formula

C30H20

SMILES

C(=C\c1ccc2ccc3ccccc3c2c1)/c1ccc2c(ccc3ccccc32)c1

Molecular Weight¹

380.49

• 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).
• 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.
• 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
ΔfH°gas	488.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.26	kJ/mol	Joback Calculated Property
ΔvapH°	169.77	kJ/mol	Relay (1.0) Calculated Property
IE	7.30	eV	Relay (1.0) Calculated Property
log10WS	-10.99		Relay (1.0) Calculated Property
logPoct/wat	8.470		Crippen Calculated Property
McVol	303.900	ml/mol	McGowan Calculated Property
Pc	1647.09	kPa	Joback Calculated Property
Inp	[4420.00; 4420.00]
Inp	4420.00		NIST
Inp	4420.00		NIST
Tboil	890.93	K	Relay (1.0) Calculated Property
Tc	1249.58	K	Relay (1.0) Calculated Property
Tfus	558.15	K	Relay (1.0) Calculated Property
Vc	1.124	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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	[940.03; 1070.84]	J/mol×K	[1039.36; 1316.95]
Cp,gas	940.03	J/mol×K	1039.36	Joback Calculated Property
Cp,gas	958.95	J/mol×K	1085.63	Joback Calculated Property
Cp,gas	978.49	J/mol×K	1131.89	Joback Calculated Property
Cp,gas	999.05	J/mol×K	1178.16	Joback Calculated Property
Cp,gas	1021.03	J/mol×K	1224.42	Joback Calculated Property
Cp,gas	1044.83	J/mol×K	1270.69	Joback Calculated Property
Cp,gas	1070.84	J/mol×K	1316.95	Joback Calculated Property
η	[0.0005287; 0.0014379]	Pa×s	[656.50; 1039.36]
η	0.0014379	Pa×s	656.50	Joback Calculated Property
η	0.0011304	Pa×s	720.31	Joback Calculated Property
η	0.0009242	Pa×s	784.12	Joback Calculated Property
η	0.0007788	Pa×s	847.93	Joback Calculated Property
η	0.0006722	Pa×s	911.74	Joback Calculated Property
η	0.0005915	Pa×s	975.55	Joback Calculated Property
η	0.0005287	Pa×s	1039.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-bis-(3-phenathryl)ethylene, trans.

Sources

• Cheméo Relay (1.0)
• 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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