Chemical Properties of Benzene, 1,1'-ethylidenebis- (CAS 612-00-0)

InChI

InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3

InChI Key

BSZXAFXFTLXUFV-UHFFFAOYSA-N

Formula

C14H14

SMILES

CC(c1ccccc1)c1ccccc1

Molecular Weight¹

182.26

CAS

612-00-0

Other Names

• 1,1'-Diphenylethane
• 1,1'-ETHYLIDENEBIS-BENZENE
• 1,1'-Ethylidenebisbenzene
• 1,1-Diphenylethane
• 1,1-Diphenylethane, as-
• Ethane, 1,1-diphenyl-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid 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).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔcH°liquid	[-7562.20; -7259.00]	kJ/mol
ΔcH°liquid	-7259.00	kJ/mol	NIST
ΔcH°liquid	-7562.20	kJ/mol	NIST
ΔcH°solid	-7558.60 ± 2.00	kJ/mol	NIST
ΔfG°	289.38	kJ/mol	Joback Calculated Property
ΔfH°gas	135.49	kJ/mol	Joback Calculated Property
ΔfusH°	16.57	kJ/mol	Joback Calculated Property
ΔvapH°	68.90 ± 0.60	kJ/mol	NIST
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	3.838		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[1522.00; 1532.00]
Inp	1522.00		NIST
Inp	1532.00		NIST
Inp	1522.00		NIST
I	[2074.00; 2116.00]
I	2116.00		NIST
I	2074.00		NIST
Tboil	[539.00; 548.00]	K
Tboil	543.00 ± 4.00	K	NIST
Tboil	545.78 ± 0.20	K	NIST
Tboil	Outlier 548.00 ± 5.00	K	NIST
Tboil	545.78 ± 0.30	K	NIST
Tboil	539.00 ± 2.00	K	NIST
Tboil	539.00 ± 2.00	K	NIST
Tboil	542.00 ± 2.00	K	NIST
Tboil	541.00 ± 3.00	K	NIST
Tboil	542.00 ± 3.00	K	NIST
Tboil	542.00 ± 4.00	K	NIST
Tboil	544.00 ± 4.00	K	NIST
Tboil	544.00 ± 4.00	K	NIST
Tboil	542.00 ± 5.00	K	NIST
Tc	817.76	K	Joback Calculated Property
Tfus	[247.25; 255.14]	K
Tfus	255.14 ± 0.20	K	NIST
Tfus	255.14 ± 0.20	K	NIST
Tfus	247.25 ± 0.25	K	NIST
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.70; 462.54]	J/mol×K	[572.64; 817.76]
Cp,gas	372.70	J/mol×K	572.64	Joback Calculated Property
Cp,gas	390.93	J/mol×K	613.49	Joback Calculated Property
Cp,gas	407.75	J/mol×K	654.35	Joback Calculated Property
Cp,gas	423.24	J/mol×K	695.20	Joback Calculated Property
Cp,gas	437.47	J/mol×K	736.05	Joback Calculated Property
Cp,gas	450.55	J/mol×K	776.91	Joback Calculated Property
Cp,gas	462.54	J/mol×K	817.76	Joback Calculated Property
Cp,liquid	295.00	J/mol×K	298.50	NIST
η	[0.0001670; 0.0035149]	Pa×s	[285.38; 572.64]
η	0.0035149	Pa×s	285.38	Joback Calculated Property
η	0.0014688	Pa×s	333.26	Joback Calculated Property
η	0.0007642	Pa×s	381.13	Joback Calculated Property
η	0.0004600	Pa×s	429.01	Joback Calculated Property
η	0.0003066	Pa×s	476.89	Joback Calculated Property
η	0.0002201	Pa×s	524.76	Joback Calculated Property
η	0.0001670	Pa×s	572.64	Joback Calculated Property
ΔvapH	[62.40; 68.20]	kJ/mol	[310.50; 376.50]
ΔvapH	68.20 ± 0.60	kJ/mol	310.50	NIST
ΔvapH	62.40	kJ/mol	376.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[402.38; 577.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49238e+01
Coefficient B			-4.89765e+03
Coefficient C			-6.77500e+01
Temperature range, min.			402.38
Temperature range, max.			577.27
Pvap	1.33	kPa	402.38	Calculated Property
Pvap	2.98	kPa	421.81	Calculated Property
Pvap	6.11	kPa	441.24	Calculated Property
Pvap	11.70	kPa	460.68	Calculated Property
Pvap	21.04	kPa	480.11	Calculated Property
Pvap	35.91	kPa	499.54	Calculated Property
Pvap	58.53	kPa	518.97	Calculated Property
Pvap	91.63	kPa	538.41	Calculated Property
Pvap	138.43	kPa	557.84	Calculated Property
Pvap	202.65	kPa	577.27	Calculated Property
Pvap	[1.56e-05; 2613.24]	kPa	[255.20; 775.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.02569e+01
Coefficient B			-1.05453e+04
Coefficient C			-9.05017e+00
Coefficient D			2.37725e-06
Temperature range, min.			255.20
Temperature range, max.			775.00
Pvap	1.56e-05	kPa	255.20	Calculated Property
Pvap	5.47e-03	kPa	312.96	Calculated Property
Pvap	0.25	kPa	370.71	Calculated Property
Pvap	3.44	kPa	428.47	Calculated Property
Pvap	23.11	kPa	486.22	Calculated Property
Pvap	96.41	kPa	543.98	Calculated Property
Pvap	291.02	kPa	601.73	Calculated Property
Pvap	700.54	kPa	659.49	Calculated Property
Pvap	1434.67	kPa	717.24	Calculated Property
Pvap	2613.24	kPa	775.00	Calculated Property

Similar Compounds

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

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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