Chemical Properties of Benzene, 1,1'-(1-methylethylidene)bis- (CAS 778-22-3)

InChI

InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3

InChI Key

MILSYCKGLDDVLM-UHFFFAOYSA-N

Formula

C15H16

SMILES

CC(C)(c1ccccc1)c1ccccc1

Molecular Weight¹

196.29

CAS

778-22-3

Other Names

• 2',2'-Diphenylpropane
• 2,2-Diphenylpropane
• Dimethyldiphenylmethane
• Propane, 2,2-diphenyl-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3793		Relay (1.0) Calculated Property
ΔcH°solid	-7929.00	kJ/mol	NIST
ΔfH°gas	130.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.27	kJ/mol	Joback Calculated Property
ΔvapH°	74.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2558.51	kPa	Joback Calculated Property
Tboil	[554.00; 556.00]	K
Tboil	555.70	K	NIST
Tboil	554.33 ± 0.30	K	NIST
Tboil	554.00 ± 3.00	K	NIST
Tboil	556.00 ± 4.00	K	NIST
Tboil	556.00 ± 4.00	K	NIST
Tboil	555.00 ± 3.00	K	NIST
Tboil	554.00 ± 4.00	K	NIST
Tc	788.85	K	Relay (1.0) Calculated Property
Tfus	[302.00; 302.27]	K
Tfus	302.27 ± 0.20	K	NIST
Tfus	302.00 ± 4.00	K	NIST
Tfus	302.00 ± 4.00	K	NIST
Tfus	302.27 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.72; 557.61]	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			-1.03030e+02
Coefficient B			1.39684e+00
Coefficient C			-1.02640e-03
Coefficient D			2.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.72	J/mol×K	273.00	Calculated Property
Cp,gas	275.53	J/mol×K	353.78	Calculated Property
Cp,gas	333.96	J/mol×K	434.56	Calculated Property
Cp,gas	383.94	J/mol×K	515.33	Calculated Property
Cp,gas	426.38	J/mol×K	596.11	Calculated Property
Cp,gas	462.20	J/mol×K	676.89	Calculated Property
Cp,gas	492.32	J/mol×K	757.67	Calculated Property
Cp,gas	517.64	J/mol×K	838.44	Calculated Property
Cp,gas	539.10	J/mol×K	919.22	Calculated Property
Cp,gas	557.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039667; 0.0001493]	Pa×s	[302.13; 590.20]	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			-1.22494e+01
Coefficient B			2.03022e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			302.13
Temperature range, max.			590.20
η	0.0039667	Pa×s	302.13	Calculated Property
η	0.0020840	Pa×s	334.14	Calculated Property
η	0.0012253	Pa×s	366.15	Calculated Property
η	0.0007846	Pa×s	398.16	Calculated Property
η	0.0005369	Pa×s	430.16	Calculated Property
η	0.0003872	Pa×s	462.17	Calculated Property
η	0.0002913	Pa×s	494.18	Calculated Property
η	0.0002269	Pa×s	526.19	Calculated Property
η	0.0001819	Pa×s	558.19	Calculated Property
η	0.0001493	Pa×s	590.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[409.97; 591.26]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42458e+01
Coefficient B			-4.50010e+03
Coefficient C			-8.75760e+01
Temperature range, min.			409.97
Temperature range, max.			591.26
Pvap	1.33	kPa	409.97	Calculated Property
Pvap	3.03	kPa	430.11	Calculated Property
Pvap	6.28	kPa	450.26	Calculated Property
Pvap	12.07	kPa	470.40	Calculated Property
Pvap	21.72	kPa	490.54	Calculated Property
Pvap	36.97	kPa	510.69	Calculated Property
Pvap	59.94	kPa	530.83	Calculated Property
Pvap	93.19	kPa	550.97	Calculated Property
Pvap	139.66	kPa	571.12	Calculated Property
Pvap	202.63	kPa	591.26	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1-methylethylidene)bis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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