Chemical Properties of 1,1'-Biphenyl, 2-methyl- (CAS 643-58-3)

InChI

InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3

InChI Key

ALLIZEAXNXSFGD-UHFFFAOYSA-N

Formula

C13H12

SMILES

Cc1ccccc1-c1ccccc1

Molecular Weight¹

168.23

CAS

643-58-3

Other Names

• 1-Methyl-2-phenylbenzene
• 2-Methyl-1,1'-biphenyl
• 2-Methylbiphenyl
• 2-Methyldiphenyl
• 2-Phenyltoluene
• Biphenyl, 2-methyl-
• o-Methylbiphenyl
• o-Phenyltoluene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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
PAff	815.90	kJ/mol	NIST
BasG	783.40	kJ/mol	NIST
ΔcH°liquid	[-6950.90; -6694.00]	kJ/mol
ΔcH°liquid	-6917.10 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-6950.90	kJ/mol	NIST
ΔcH°liquid	-6694.00	kJ/mol	NIST
ΔcH°liquid	-6938.70 ± 7.10	kJ/mol	NIST
ΔfG°	273.77	kJ/mol	Joback Calculated Property
ΔfH°gas	152.80 ± 1.50	kJ/mol	NIST
ΔfH°liquid	86.50 ± 1.30	kJ/mol	NIST
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	[66.30; 66.30]	kJ/mol
ΔvapH°	66.30 ± 0.50	kJ/mol	NIST
ΔvapH°	66.30	kJ/mol	NIST
IE	8.10 ± 0.02	eV	NIST
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	3.662		Crippen Calculated Property
McVol	146.510	ml/mol	McGowan Calculated Property
Pc	3022.28	kPa	Joback Calculated Property
Inp	[238.20; 1449.00]
Inp	1438.00		NIST
Inp	1449.00		NIST
Inp	1390.00		NIST
Inp	1397.60		NIST
Inp	1402.30		NIST
Inp	1390.00		NIST
Inp	1397.60		NIST
Inp	1402.30		NIST
Inp	1404.00		NIST
Inp	1388.00		NIST
Inp	255.70		NIST
Inp	256.00		NIST
Inp	239.57		NIST
Inp	239.57		NIST
Inp	239.99		NIST
Inp	240.00		NIST
Inp	239.84		NIST
Inp	238.55		NIST
Inp	255.41		NIST
Inp	238.77		NIST
Inp	263.90		NIST
Inp	238.20		NIST
Inp	238.77		NIST
Inp	263.90		NIST
Inp	1438.00		NIST
Inp	1388.00		NIST
I	[1960.00; 2000.00]
I	2000.00		NIST
I	1960.00		NIST
I	2000.00		NIST
Tboil	555.18	K	Joback Calculated Property
Tc	800.99	K	Joback Calculated Property
Tfus	[272.95; 418.00]	K
Tfus	272.95 ± 0.15	K	NIST
Tfus	418.00	K	NIST
Tfus	272.95 ± 0.10	K	NIST
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.50; 407.46]	J/mol×K	[555.18; 800.99]
Cp,gas	324.50	J/mol×K	555.18	Joback Calculated Property
Cp,gas	341.24	J/mol×K	596.15	Joback Calculated Property
Cp,gas	356.73	J/mol×K	637.12	Joback Calculated Property
Cp,gas	371.02	J/mol×K	678.09	Joback Calculated Property
Cp,gas	384.20	J/mol×K	719.06	Joback Calculated Property
Cp,gas	396.32	J/mol×K	760.03	Joback Calculated Property
Cp,gas	407.46	J/mol×K	800.99	Joback Calculated Property
η	[0.0001868; 0.0019527]	Pa×s	[301.63; 555.18]
η	0.0019527	Pa×s	301.63	Joback Calculated Property
η	0.0010384	Pa×s	343.89	Joback Calculated Property
η	0.0006341	Pa×s	386.15	Joback Calculated Property
η	0.0004268	Pa×s	428.40	Joback Calculated Property
η	0.0003084	Pa×s	470.66	Joback Calculated Property
η	0.0002351	Pa×s	512.92	Joback Calculated Property
η	0.0001868	Pa×s	555.18	Joback Calculated Property
ΔvapH	65.23	kJ/mol	298.15	Vapour ...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[392.92; 566.97]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41095e+01
Coefficient B			-4.21299e+03
Coefficient C			-8.81150e+01
Temperature range, min.			392.92
Temperature range, max.			566.97
Pvap	1.33	kPa	392.92	Calculated Property
Pvap	3.04	kPa	412.26	Calculated Property
Pvap	6.32	kPa	431.60	Calculated Property
Pvap	12.16	kPa	450.94	Calculated Property
Pvap	21.88	kPa	470.28	Calculated Property
Pvap	37.20	kPa	489.61	Calculated Property
Pvap	60.25	kPa	508.95	Calculated Property
Pvap	93.54	kPa	528.29	Calculated Property
Pvap	139.93	kPa	547.63	Calculated Property
Pvap	202.64	kPa	566.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2-methyl-.

Mixtures

• 1,1'-Biphenyl, 2-methyl- + Pentane

Sources

• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
• Study of critical and maximum temperatures of coexistence of liquid and gas phase in hydrocarbons binary mixtures of aromatic hydrocarbons with alkanes and cycloalkanes
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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