Chemical Properties of Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris- (CAS 58-72-0)

InChI

InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H

InChI Key

MKYQPGPNVYRMHI-UHFFFAOYSA-N

Formula

C20H16

SMILES

C(=C(c1ccccc1)c1ccccc1)c1ccccc1

Molecular Weight¹

256.34

CAS

58-72-0

Other Names

• 1,1,2-Triphenylethylene
• 1,2,2-Triphenylethylene
• BENZILIDENEDIPHENYLMETHANE
• Ethylene, triphenyl-
• TRIPHENYLETHENE
• TRIPHENYLETHYLENE

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°solid	[-10503.00; -10390.20]	kJ/mol
ΔcH°solid	-10390.20 ± 1.70	kJ/mol	NIST
ΔcH°solid	-10503.00	kJ/mol	NIST
ΔfG°	526.42	kJ/mol	Joback Calculated Property
ΔfH°gas	360.89	kJ/mol	Joback Calculated Property
ΔfusH°	28.57	kJ/mol	Joback Calculated Property
ΔsubH°	112.20 ± 1.90	kJ/mol	NIST
ΔvapH°	91.80 ± 0.90	kJ/mol	NIST
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	5.275		Crippen Calculated Property
McVol	217.080	ml/mol	McGowan Calculated Property
Pc	2293.71	kPa	Joback Calculated Property
Tboil	741.08	K	Joback Calculated Property
Tc	1013.04	K	Joback Calculated Property
Tfus	[337.00; 342.40]	K
Tfus	337.00 ± 4.00	K	NIST
Tfus	342.00 ± 4.00	K	NIST
Tfus	339.00 ± 4.00	K	NIST
Tfus	342.40 ± 2.00	K	NIST
Tfus	339.00 ± 0.70	K	NIST
Vc	0.812	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.64; 668.04]	J/mol×K	[741.08; 1013.04]
T(K) Ideal gas heat capacity (J/mol×K) 580 600 620 640 660 800 900 1000
Cp,gas	579.64	J/mol×K	741.08	Joback Calculated Property
Cp,gas	597.95	J/mol×K	786.41	Joback Calculated Property
Cp,gas	614.57	J/mol×K	831.73	Joback Calculated Property
Cp,gas	629.69	J/mol×K	877.06	Joback Calculated Property
Cp,gas	643.51	J/mol×K	922.39	Joback Calculated Property
Cp,gas	656.23	J/mol×K	967.71	Joback Calculated Property
Cp,gas	668.04	J/mol×K	1013.04	Joback Calculated Property
Cp,solid	309.20	J/mol×K	298.50	NIST
ΔfusH	[20.35; 20.58]	kJ/mol	[339.90; 341.00]
ΔfusH	20.58	kJ/mol	339.90	NIST
ΔfusH	20.35	kJ/mol	341.00	NIST
ΔsubH	110.10 ± 1.90	kJ/mol	331.00	NIST
ΔvapH	[88.00; 89.70]	kJ/mol	[361.50; 398.00]
ΔvapH	88.00 ± 0.90	kJ/mol	361.50	NIST
ΔvapH	89.70	kJ/mol	398.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[499.56; 630.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.07265e+01
Coefficient B			-8.22374e+03
Coefficient C			-9.72000e+01
Temperature range, min.			499.56
Temperature range, max.			630.69
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600
Pvap	1.33	kPa	499.56	Calculated Property
Pvap	2.72	kPa	514.13	Calculated Property
Pvap	5.30	kPa	528.70	Calculated Property
Pvap	9.88	kPa	543.27	Calculated Property
Pvap	17.70	kPa	557.84	Calculated Property
Pvap	30.60	kPa	572.41	Calculated Property
Pvap	51.20	kPa	586.98	Calculated Property
Pvap	83.17	kPa	601.55	Calculated Property
Pvap	131.46	kPa	616.12	Calculated Property
Pvap	202.65	kPa	630.69	Calculated Property
Pvap	[1.37e-04; 2237.71]	kPa	[342.15; 908.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.53479e+02
Coefficient B			-1.70969e+04
Coefficient C			-1.93870e+01
Coefficient D			6.20138e-06
Temperature range, min.			342.15
Temperature range, max.			908.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 400 600 800
Pvap	1.37e-04	kPa	342.15	Calculated Property
Pvap	0.02	kPa	405.02	Calculated Property
Pvap	0.41	kPa	467.89	Calculated Property
Pvap	3.95	kPa	530.77	Calculated Property
Pvap	21.19	kPa	593.64	Calculated Property
Pvap	77.30	kPa	656.51	Calculated Property
Pvap	218.56	kPa	719.38	Calculated Property
Pvap	522.34	kPa	782.26	Calculated Property
Pvap	1118.83	kPa	845.13	Calculated Property
Pvap	2237.71	kPa	908.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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