Chemical Properties of 2,2'-Dimethylbiphenyl (CAS 605-39-0)

InChI

InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3

InChI Key

ABMKWMASVFVTMD-UHFFFAOYSA-N

Formula

C14H14

SMILES

Cc1ccccc1-c1ccccc1C

Molecular Weight¹

182.26

CAS

605-39-0

Other Names

• 1,1'-Biphenyl, 2,2'-dimethyl-
• 1-Methyl-2-(2'-methylphenyl)benzene
• 2,2'-Bitolyl
• 2,2'-Dimethyl-1,1'-biphenyl
• 2,2'-Ditolyl
• Diphenyl, 2,2'-dimethyl
• O,O'-Bitoluene
• O,O'-Bitolyl

• ω : Acentric Factor.
• 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_subH : Enthalpy of sublimation 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	0.4274		Relay (1.0) Calculated Property
ΔfG°	272.56	kJ/mol	Joback Calculated Property
ΔfH°gas	135.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔvapH°	74.89	kJ/mol	Relay (1.0) Calculated Property
IE	[8.05; 8.80]	eV
IE	8.80 ± 0.05	eV	NIST
IE	8.05 ± 0.02	eV	NIST
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	3.970		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2684.64	kPa	Joback Calculated Property
Inp	[241.94; 1546.00]
Inp	1546.00		NIST
Inp	261.78		NIST
Inp	243.90		NIST
Inp	241.94		NIST
I	[1916.00; 1950.00]
I	1950.00		NIST
I	1916.00		NIST
S°liquid	332.60	J/mol×K	NIST
Tboil	[530.00; 531.00]	K
Tboil	531.00 ± 4.00	K	NIST
Tboil	531.00 ± 4.00	K	NIST
Tboil	531.00 ± 3.00	K	NIST
Tboil	531.00 ± 4.00	K	NIST
Tboil	530.00 ± 4.00	K	NIST
Tc	789.27	K	Relay (1.0) Calculated Property
Tfus	[290.00; 523.00]	K
Tfus	290.00 ± 2.00	K	NIST
Tfus	293.00 ± 1.00	K	NIST
Tfus	340.00 ± 4.00	K	NIST
Tfus	Outlier 523.00 ± 5.00	K	NIST
Tfus	290.00 ± 3.00	K	NIST
Tfus	290.00 ± 3.00	K	NIST
Tfus	291.50 ± 1.00	K	NIST
Tfus	290.00 ± 1.00	K	NIST
Tfus	290.70 ± 2.00	K	NIST
Tfus	291.00 ± 2.00	K	NIST
Ttriple	293.09 ± 0.01	K	NIST
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.93; 457.58]	J/mol×K	[583.24; 825.05]
Cp,gas	371.93	J/mol×K	583.24	Joback Calculated Property
Cp,gas	389.03	J/mol×K	623.54	Joback Calculated Property
Cp,gas	404.92	J/mol×K	663.84	Joback Calculated Property
Cp,gas	419.66	J/mol×K	704.15	Joback Calculated Property
Cp,gas	433.30	J/mol×K	744.45	Joback Calculated Property
Cp,gas	445.92	J/mol×K	784.75	Joback Calculated Property
Cp,gas	457.58	J/mol×K	825.05	Joback Calculated Property
Cp,liquid	298.06	J/mol×K	298.15	NIST
η	[0.0001714; 0.0014925]	Pa×s	[325.42; 583.24]
η	0.0014925	Pa×s	325.42	Joback Calculated Property
η	0.0008432	Pa×s	368.39	Joback Calculated Property
η	0.0005367	Pa×s	411.36	Joback Calculated Property
η	0.0003721	Pa×s	454.33	Joback Calculated Property
η	0.0002749	Pa×s	497.30	Joback Calculated Property
η	0.0002130	Pa×s	540.27	Joback Calculated Property
η	0.0001714	Pa×s	583.24	Joback Calculated Property
ΔfusH	[2.28; 2.28]	kJ/mol	[293.09; 293.10]
ΔfusH	2.28	kJ/mol	293.09	NIST
ΔfusH	2.28	kJ/mol	293.10	NIST
ΔfusH	2.28	kJ/mol	293.10	NIST
ΔsubH	65.70	kJ/mol	285.50	NIST
ΔfusS	7.78	J/mol×K	293.09	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[394.92; 564.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43603e+01
Coefficient B			-4.30779e+03
Coefficient C			-8.88100e+01
Temperature range, min.			394.92
Temperature range, max.			564.87
Pvap	1.33	kPa	394.92	Calculated Property
Pvap	3.02	kPa	413.80	Calculated Property
Pvap	6.25	kPa	432.69	Calculated Property
Pvap	12.00	kPa	451.57	Calculated Property
Pvap	21.60	kPa	470.45	Calculated Property
Pvap	36.78	kPa	489.34	Calculated Property
Pvap	59.69	kPa	508.22	Calculated Property
Pvap	92.92	kPa	527.10	Calculated Property
Pvap	139.45	kPa	545.99	Calculated Property
Pvap	202.64	kPa	564.87	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-Dimethylbiphenyl.

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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