Chemical Properties of 1,1'-Biphenyl, 4-ethenyl- (CAS 2350-89-2)

InChI

InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2

InChI Key

HDBWAWNLGGMZRQ-UHFFFAOYSA-N

Formula

C14H12

SMILES

C=Cc1ccc(-c2ccccc2)cc1

Molecular Weight¹

180.25

CAS

2350-89-2

Other Names

• 4-Ethenyl-1,1'-biphenyl
• 4-Phenylstyrene
• 4-Vinyl biphenyl
• 4-Vinylbiphenyl
• 4-Vinyldiphenyl
• Biphenyl, 4-vinyl-
• p-Phenylstyrene
• p-Vinylbiphenyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ω	0.4033		Relay (1.0) Calculated Property
ΔfG°	370.03	kJ/mol	Joback Calculated Property
ΔfH°gas	278.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.43	kJ/mol	Joback Calculated Property
ΔvapH°	73.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	3.997		Crippen Calculated Property
McVol	156.300	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[270.50; 275.90]
Inp	275.70		NIST
Inp	275.90		NIST
Inp	270.50		NIST
Inp	270.60		NIST
Inp	270.50		NIST
Inp	275.60		NIST
Inp	275.70		NIST
Tboil	573.39	K	Relay (1.0) Calculated Property
Tc	802.58	K	Relay (1.0) Calculated Property
Tfus	[390.65; 392.00]	K
Tfus	390.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	392.00 ± 4.00	K	NIST
Tfus	391.00 ± 5.00	K	NIST
Vc	0.580	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.70; 473.00]	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			-6.63400e+01
Coefficient B			1.09650e+00
Coefficient C			-7.56060e-04
Coefficient D			1.98900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.70	J/mol×K	273.00	Calculated Property
Cp,gas	235.76	J/mol×K	353.78	Calculated Property
Cp,gas	283.70	J/mol×K	434.56	Calculated Property
Cp,gas	325.16	J/mol×K	515.33	Calculated Property
Cp,gas	360.76	J/mol×K	596.11	Calculated Property
Cp,gas	391.14	J/mol×K	676.89	Calculated Property
Cp,gas	416.93	J/mol×K	757.67	Calculated Property
Cp,gas	438.75	J/mol×K	838.44	Calculated Property
Cp,gas	457.23	J/mol×K	919.22	Calculated Property
Cp,gas	473.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006528; 0.0001798]	Pa×s	[391.22; 574.84]	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			-1.13707e+01
Coefficient B			1.57910e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			391.22
Temperature range, max.			574.84
η	0.0006528	Pa×s	391.22	Calculated Property
η	0.0005344	Pa×s	411.62	Calculated Property
η	0.0004459	Pa×s	432.02	Calculated Property
η	0.0003781	Pa×s	452.43	Calculated Property
η	0.0003252	Pa×s	472.83	Calculated Property
η	0.0002833	Pa×s	493.23	Calculated Property
η	0.0002494	Pa×s	513.64	Calculated Property
η	0.0002218	Pa×s	534.04	Calculated Property
η	0.0001989	Pa×s	554.44	Calculated Property
η	0.0001798	Pa×s	574.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 4-ethenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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