Chemical Properties of Benzene, 1-methyl-3-(phenylmethyl)- (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

182.26

CAS

620-47-3

Other Names

• 3-Methyldiphenylmethane
• Diphenylmethane, 3-methyl

• 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).
• 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	-7322.00	kJ/mol	NIST
ΔfG°	282.19	kJ/mol	Joback Calculated Property
ΔfH°gas	129.30	kJ/mol	Joback Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	51.97	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen 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
I	[2128.00; 2168.00]
I	2168.00		NIST
I	2128.00		NIST
Tboil	[552.39; 552.39]	K
Tboil	552.39 ± 0.40	K	NIST
Tboil	552.39 ± 0.30	K	NIST
Tc	818.72	K	Joback Calculated Property
Tfus	245.32 ± 0.05	K	NIST
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.14; 458.94]	J/mol×K	[578.06; 818.72]
Cp,gas	372.14	J/mol×K	578.06	Joback Calculated Property
Cp,gas	389.56	J/mol×K	618.17	Joback Calculated Property
Cp,gas	405.71	J/mol×K	658.28	Joback Calculated Property
Cp,gas	420.65	J/mol×K	698.39	Joback Calculated Property
Cp,gas	434.45	J/mol×K	738.50	Joback Calculated Property
Cp,gas	447.19	J/mol×K	778.61	Joback Calculated Property
Cp,gas	458.94	J/mol×K	818.72	Joback Calculated Property
η	[0.0001748; 0.0019467]	Pa×s	[312.90; 578.06]
η	0.0019467	Pa×s	312.90	Joback Calculated Property
η	0.0010159	Pa×s	357.09	Joback Calculated Property
η	0.0006118	Pa×s	401.29	Joback Calculated Property
η	0.0004075	Pa×s	445.48	Joback Calculated Property
η	0.0002920	Pa×s	489.67	Joback Calculated Property
η	0.0002212	Pa×s	533.87	Joback Calculated Property
η	0.0001748	Pa×s	578.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[411.35; 587.21]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Benzene, 1-methyl-3-(phenylmethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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