Chemical Properties of Benzene, 1,1'-methylenebis[4-methyl-

InChI

InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

InChI Key

HZAWPPRBCALFRN-UHFFFAOYSA-N

Formula

C15H16

SMILES

Cc1ccc(Cc2ccc(C)cc2)cc1

Molecular Weight¹

196.29

Other Names

• 4',4-Dimethyldiphenylmethane
• 4,4'-Dimethyldiphenylmethane
• 4,4'-Ditolylmethane
• Bis-p-tolylmethane
• Di-p-tolylmethane
• Toluene, p,p'-methylenedi-
• p-Ditolylmethane

• 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_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
ω	0.5027		Relay (1.0) Calculated Property
ΔfG°	280.98	kJ/mol	Joback Calculated Property
ΔfH°gas	110.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	77.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	3.894		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2436.25	kPa	Joback Calculated Property
Inp	[1616.00; 1616.00]
Inp	1616.00		NIST
Inp	1616.00		NIST
Inp	1616.00		NIST
Tboil	566.00 ± 5.00	K	NIST
Tc	789.70	K	Relay (1.0) Calculated Property
Tfus	[300.30; 302.00]	K
Tfus	301.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	301.70 ± 1.00	K	NIST
Tfus	302.00 ± 2.00	K	NIST
Tfus	300.30 ± 1.00	K	NIST
Tfus	301.00 ± 3.00	K	NIST
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[429.50; 438.20]	K	[1.60; 2.10]
Tboilr	438.20	K	1.60	NIST
Tboilr	429.50 ± 1.50	K	2.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.28; 550.06]	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			-4.99590e+01
Coefficient B			1.15204e+00
Coefficient C			-7.20520e-04
Coefficient D			1.68500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.28	J/mol×K	273.00	Calculated Property
Cp,gas	274.89	J/mol×K	353.78	Calculated Property
Cp,gas	328.43	J/mol×K	434.56	Calculated Property
Cp,gas	375.44	J/mol×K	515.33	Calculated Property
Cp,gas	416.44	J/mol×K	596.11	Calculated Property
Cp,gas	451.98	J/mol×K	676.89	Calculated Property
Cp,gas	482.57	J/mol×K	757.67	Calculated Property
Cp,gas	508.76	J/mol×K	838.44	Calculated Property
Cp,gas	531.08	J/mol×K	919.22	Calculated Property
Cp,gas	550.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026629; 0.0001720]	Pa×s	[301.33; 590.03]	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			-1.15274e+01
Coefficient B			1.68716e+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.			301.33
Temperature range, max.			590.03
η	0.0026629	Pa×s	301.33	Calculated Property
η	0.0015538	Pa×s	333.41	Calculated Property
η	0.0009966	Pa×s	365.49	Calculated Property
η	0.0006867	Pa×s	397.56	Calculated Property
η	0.0005002	Pa×s	429.64	Calculated Property
η	0.0003808	Pa×s	461.72	Calculated Property
η	0.0003003	Pa×s	493.80	Calculated Property
η	0.0002438	Pa×s	525.88	Calculated Property
η	0.0002027	Pa×s	557.95	Calculated Property
η	0.0001720	Pa×s	590.03	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-methylenebis[4-methyl-.

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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