Chemical Properties of Benzene, 1,1'-ethenylidenebis- (CAS 530-48-3)

InChI

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

InChI Key

ZMYIIHDQURVDRB-UHFFFAOYSA-N

Formula

C14H12

SMILES

C=C(c1ccccc1)c1ccccc1

Molecular Weight¹

180.25

CAS

530-48-3

Other Names

• 1,1'-Ethenylidenebisbenzene
• 1,1-Diphenylethene
• 1,1-Diphenylethylene
• Ethylene, 1,1-diphenyl-
• NSC 57645
• as-Diphenylethylene
• diphenylethylene
• unsym-Diphenylethylene
• «alpha»,«alpha»-Diphenylethylene
• «alpha»-Methylene-diphenylmethane
• «alpha»-Phenylstyrene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.4322		Relay (1.0) Calculated Property
PAff	885.70	kJ/mol	NIST
BasG	856.90	kJ/mol	NIST
ΔcH°liquid	-7396.50 ± 1.20	kJ/mol	NIST
EA	0.39 ± 0.06	eV	NIST
ΔfG°	371.11	kJ/mol	Joback Calculated Property
ΔfH°gas	303.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	71.20 ± 0.70	kJ/mol	NIST
IE	8.00 ± 0.02	eV	NIST
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	3.748		Crippen Calculated Property
McVol	156.300	ml/mol	McGowan Calculated Property
Pc	2912.39	kPa	Joback Calculated Property
Inp	[289.70; 296.62]
Inp	296.62		NIST
Inp	289.70		NIST
Tboil	[543.70; 550.20]	K
Tboil	543.70	K	NIST
Tboil	550.20	K	NIST
Tc	804.68	K	Relay (1.0) Calculated Property
Tfus	[281.00; 281.35]	K
Tfus	281.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	281.00 ± 4.00	K	NIST
Tfus	281.35 ± 0.30	K	NIST
Tfus	281.35 ± 0.30	K	NIST
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[295.00; 300.00]	J/mol×K	[290.00; 300.00]
Cp,liquid	295.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	299.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	299.20	J/mol×K	298.50	NIST
Cp,liquid	300.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	[59.30; 73.30]	kJ/mol	[314.50; 512.00]
ΔvapH	70.20 ± 0.70	kJ/mol	314.50	NIST
ΔvapH	59.30	kJ/mol	455.00	NIST
ΔvapH	73.30	kJ/mol	512.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.30; 475.77]	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			-8.03300e+01
Coefficient B			1.15590e+00
Coefficient C			-8.25400e-04
Coefficient D			2.25600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.30	J/mol×K	273.00	Calculated Property
Cp,gas	235.28	J/mol×K	353.78	Calculated Property
Cp,gas	284.62	J/mol×K	434.56	Calculated Property
Cp,gas	327.02	J/mol×K	515.33	Calculated Property
Cp,gas	363.20	J/mol×K	596.11	Calculated Property
Cp,gas	393.87	J/mol×K	676.89	Calculated Property
Cp,gas	419.75	J/mol×K	757.67	Calculated Property
Cp,gas	441.55	J/mol×K	838.44	Calculated Property
Cp,gas	459.99	J/mol×K	919.22	Calculated Property
Cp,gas	475.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[408.20; 577.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46567e+01
Coefficient B			-4.51305e+03
Coefficient C			-9.41190e+01
Temperature range, min.			408.20
Temperature range, max.			577.05
Pvap	1.33	kPa	408.20	Calculated Property
Pvap	3.00	kPa	426.96	Calculated Property
Pvap	6.18	kPa	445.72	Calculated Property
Pvap	11.84	kPa	464.48	Calculated Property
Pvap	21.30	kPa	483.24	Calculated Property
Pvap	36.31	kPa	502.01	Calculated Property
Pvap	59.07	kPa	520.77	Calculated Property
Pvap	92.23	kPa	539.53	Calculated Property
Pvap	138.91	kPa	558.29	Calculated Property
Pvap	202.67	kPa	577.05	Calculated Property
Pvap	[0.13; 100.64]	kPa	[360.60; 550.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57912e+01
Coefficient B			-5.68765e+03
Coefficient C			-4.12530e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			360.60
Temperature range, max.			550.00
Pvap	0.13	kPa	360.60	Calculated Property
Pvap	0.40	kPa	381.64	Calculated Property
Pvap	1.06	kPa	402.69	Calculated Property
Pvap	2.51	kPa	423.73	Calculated Property
Pvap	5.45	kPa	444.78	Calculated Property
Pvap	10.97	kPa	465.82	Calculated Property
Pvap	20.65	kPa	486.87	Calculated Property
Pvap	36.72	kPa	507.91	Calculated Property
Pvap	62.12	kPa	528.96	Calculated Property
Pvap	100.64	kPa	550.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-ethenylidenebis-.

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
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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