Chemical Properties of 3-Methyldiphenylmethane (CAS 620-47-3)

InChI

InChI=1S/C14H14/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChI Key

KSYQGOYOIKQFNA-UHFFFAOYSA-N

Formula

C14H14

SMILES

Cc1cccc(Cc2ccccc2)c1

Molecular Weight¹

182.27

CAS

620-47-3

Other Names

• Diphenylmethane, 3-methyl

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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	0.4434		Relay (1.0) Calculated Property
ΔcH°liquid	-7322.00	kJ/mol	NIST
ΔfG°	282.19	kJ/mol	Joback Calculated Property
ΔfH°gas	150.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	72.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	3.586		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
Inp	[1565.00; 1576.00]
Inp	1565.00		NIST
Inp	1576.00		NIST
Ip	[2128.00; 2168.00]
Ip	2168.00		NIST
Ip	2128.00		NIST
Ip	2168.00		NIST
Tboil	[552.39; 552.39]	K
Tboil	552.39 ± 0.40	K	NIST
Tboil	552.39 ± 0.30	K	NIST
Tboil	552.39 ± 0.40	K	NIST
Tc	782.19	K	Relay (1.0) Calculated Property
Tfus	[245.15; 245.32]	K
Tfus	245.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	245.32 ± 0.05	K	NIST
Tfus	245.32 ± 0.05	K	NIST
Vc	0.611	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.51; 501.51]	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			-6.33490e+01
Coefficient B			1.11652e+00
Coefficient C			-7.33160e-04
Coefficient D			1.81500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.51	J/mol×K	273.00	Calculated Property
Cp,gas	247.93	J/mol×K	353.78	Calculated Property
Cp,gas	298.29	J/mol×K	434.56	Calculated Property
Cp,gas	342.17	J/mol×K	515.33	Calculated Property
Cp,gas	380.14	J/mol×K	596.11	Calculated Property
Cp,gas	412.78	J/mol×K	676.89	Calculated Property
Cp,gas	440.67	J/mol×K	757.67	Calculated Property
Cp,gas	464.37	J/mol×K	838.44	Calculated Property
Cp,gas	484.46	J/mol×K	919.22	Calculated Property
Cp,gas	501.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082919; 0.0001789]	Pa×s	[245.26; 573.30]	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			-1.14965e+01
Coefficient B			1.64426e+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.			245.26
Temperature range, max.			573.30
η	0.0082919	Pa×s	245.26	Calculated Property
η	0.0034830	Pa×s	281.71	Calculated Property
η	0.0017847	Pa×s	318.16	Calculated Property
η	0.0010492	Pa×s	354.61	Calculated Property
η	0.0006810	Pa×s	391.06	Calculated Property
η	0.0004759	Pa×s	427.51	Calculated Property
η	0.0003518	Pa×s	463.96	Calculated Property
η	0.0002717	Pa×s	500.41	Calculated Property
η	0.0002174	Pa×s	536.86	Calculated Property
η	0.0001789	Pa×s	573.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[411.35; 587.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45709e+01
Coefficient B			-4.62981e+03
Coefficient C			-8.72050e+01
Temperature range, min.			411.35
Temperature range, max.			587.21
Pvap	1.33	kPa	411.35	Calculated Property
Pvap	3.00	kPa	430.89	Calculated Property
Pvap	6.20	kPa	450.43	Calculated Property
Pvap	11.88	kPa	469.97	Calculated Property
Pvap	21.39	kPa	489.51	Calculated Property
Pvap	36.45	kPa	509.05	Calculated Property
Pvap	59.24	kPa	528.59	Calculated Property
Pvap	92.42	kPa	548.13	Calculated Property
Pvap	139.05	kPa	567.67	Calculated Property
Pvap	202.64	kPa	587.21	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyldiphenylmethane.

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

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