Chemical Properties of Benzene, 1-methyl-2-(phenylmethyl)- (CAS 713-36-0)

InChI

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

InChI Key

PQTAUFTUHHRKSS-UHFFFAOYSA-N

Formula

C14H14

SMILES

Cc1ccccc1Cc1ccccc1

Molecular Weight¹

182.26

CAS

713-36-0

Other Names

• 1-Methyl-2-benzylbenzene
• 2'-Methyldiphenylmethane
• 2-Benzyltoluene
• 2-Methyldiphenylmethane
• Methane, phenyl-o-tolyl-
• NSC 75366
• Phenyl-2-tolylmethane
• Phenyl-o-tolylmethane
• o-Benzyltoluene
• o-Tolylphenylmethane
• «alpha»-Phenyl-o-xylene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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_fusH : Enthalpy of fusion at a given temperature (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 : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4289		Relay (1.0) Calculated Property
ΔcH°liquid	-7259.00	kJ/mol	NIST
ΔfG°	282.19	kJ/mol	Joback Calculated Property
ΔfH°gas	157.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	72.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-4.54		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	[1570.00; 1583.00]
Inp	1570.00		NIST
Inp	1583.00		NIST
I	[2135.00; 2179.00]
I	2179.00		NIST
I	2135.00		NIST
I	2179.00		NIST
S°liquid	335.50	J/mol×K	NIST
Tboil	[553.65; 553.65]	K
Tboil	553.65 ± 0.40	K	NIST
Tboil	553.65 ± 0.50	K	NIST
Tboil	553.65 ± 0.40	K	NIST
Tc	783.27	K	Relay (1.0) Calculated Property
Tfus	[279.76; 279.76]	K
Tfus	279.76 ± 0.05	K	NIST
Tfus	279.76 ± 0.05	K	NIST
Ttriple	[279.76; 279.76]	K
Ttriple	279.76 ± 0.01	K	NIST
Ttriple	279.76 ± 0.01	K	NIST
Vc	0.603	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.23; 459.02]	J/mol×K	[578.26; 819.01]
Cp,gas	372.23	J/mol×K	578.26	Joback Calculated Property
Cp,gas	389.65	J/mol×K	618.38	Joback Calculated Property
Cp,gas	405.79	J/mol×K	658.51	Joback Calculated Property
Cp,gas	420.73	J/mol×K	698.63	Joback Calculated Property
Cp,gas	434.54	J/mol×K	738.76	Joback Calculated Property
Cp,gas	447.27	J/mol×K	778.88	Joback Calculated Property
Cp,gas	459.02	J/mol×K	819.01	Joback Calculated Property
Cp,liquid	296.58	J/mol×K	298.15	NIST
η	[0.0001746; 0.0019467]	Pa×s	[312.90; 578.26]
η	0.0019467	Pa×s	312.90	Joback Calculated Property
η	0.0010155	Pa×s	357.13	Joback Calculated Property
η	0.0006114	Pa×s	401.35	Joback Calculated Property
η	0.0004071	Pa×s	445.58	Joback Calculated Property
η	0.0002918	Pa×s	489.81	Joback Calculated Property
η	0.0002209	Pa×s	534.03	Joback Calculated Property
η	0.0001746	Pa×s	578.26	Joback Calculated Property
ΔfusH	[19.24; 19.24]	kJ/mol	[279.76; 279.80]
ΔfusH	19.24	kJ/mol	279.76	NIST
ΔfusH	19.24	kJ/mol	279.76	NIST
ΔfusH	19.24	kJ/mol	279.80	NIST
ΔfusS	[68.78; 68.78]	J/mol×K	[279.76; 279.76]
ΔfusS	68.78	J/mol×K	279.76	NIST
ΔfusS	68.78	J/mol×K	279.76	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[412.29; 588.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45704e+01
Coefficient B			-4.63970e+03
Coefficient C			-8.74450e+01
Temperature range, min.			412.29
Temperature range, max.			588.55
Pvap	1.33	kPa	412.29	Calculated Property
Pvap	3.00	kPa	431.87	Calculated Property
Pvap	6.20	kPa	451.46	Calculated Property
Pvap	11.88	kPa	471.04	Calculated Property
Pvap	21.39	kPa	490.63	Calculated Property
Pvap	36.44	kPa	510.21	Calculated Property
Pvap	59.24	kPa	529.80	Calculated Property
Pvap	92.42	kPa	549.38	Calculated Property
Pvap	139.05	kPa	568.97	Calculated Property
Pvap	202.64	kPa	588.55	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-2-(phenylmethyl)-.

Sources

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

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