Chemical Properties of 4,4'-Dimethylbiphenyl (CAS 613-33-2)

InChI

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

InChI Key

RZTDESRVPFKCBH-UHFFFAOYSA-N

Formula

C14H14

SMILES

Cc1ccc(-c2ccc(C)cc2)cc1

Molecular Weight¹

182.26

CAS

613-33-2

Other Names

• 1,1'-Biphenyl, 4,4'-dimethyl-
• 1-Methyl-4-(4'-methylphenyl)benzene
• 1-methyl-4-(4-methylphenyl)benzene
• 4,4'-Bitolyl
• 4,4'-Dimethyl-1,1'-biphenyl
• 4,4'-Dimethyldiphenyl
• 4,4'-Ditolyl
• Bi-p-tolyl
• Biphenyl, 4,4'-dimethyl-
• Di-p-tolyl
• Diphenyl, 4,4'-dimethyl
• NSC 90464
• p,p'-Bitoluene
• p,p'-Bitolyl
• p,p'-Ditolyl

• Δ_cH°_solid : Standard solid 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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
ΔcH°solid	[-7526.10; -7524.10]	kJ/mol
ΔcH°solid	-7526.10 ± 2.30	kJ/mol	NIST
ΔcH°solid	-7524.10 ± 7.50	kJ/mol	NIST
ΔfG°	272.56	kJ/mol	Joback Calculated Property
ΔfH°gas	111.30 ± 3.60	kJ/mol	NIST
ΔfH°solid	16.20 ± 2.90	kJ/mol	NIST
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔsubH°	[95.10; 95.10]	kJ/mol
ΔsubH°	95.10 ± 2.00	kJ/mol	NIST
ΔsubH°	95.10 ± 2.00	kJ/mol	NIST
ΔsubH°	95.10	kJ/mol	NIST
ΔvapH°	52.63	kJ/mol	Joback Calculated Property
IE	8.50	eV	NIST
log10WS	-5.03		Crippen 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	[274.08; 1619.00]
Inp	1583.00		NIST
Inp	1619.00		NIST
Inp	1596.80		NIST
Inp	1607.60		NIST
Inp	1614.20		NIST
Inp	1596.80		NIST
Inp	1607.60		NIST
Inp	1614.20		NIST
Inp	1616.00		NIST
Inp	1590.00		NIST
Inp	1594.00		NIST
Inp	1583.00		NIST
Inp	277.49		NIST
Inp	274.50		NIST
Inp	274.50		NIST
Inp	274.08		NIST
Inp	274.59		NIST
Inp	277.00		NIST
Inp	274.44		NIST
Inp	274.59		NIST
Inp	1583.00		NIST
Inp	1596.80		NIST
Inp	1614.20		NIST
Inp	1594.00		NIST
Inp	277.00		NIST
I	[2221.00; 2281.00]
I	2281.00		NIST
I	2236.00		NIST
I	2221.00		NIST
I	2281.00		NIST
Tboil	[559.00; 569.00]	K
Tboil	568.20	K	NIST
Tboil	562.00 ± 4.00	K	NIST
Tboil	568.00 ± 4.00	K	NIST
Tboil	569.00 ± 4.00	K	NIST
Tboil	559.00 ± 5.00	K	NIST
Tc	824.77	K	Joback Calculated Property
Tfus	[355.00; 398.00]	K
Tfus	395.00 ± 4.00	K	NIST
Tfus	394.30 ± 1.50	K	NIST
Tfus	395.00 ± 3.00	K	NIST
Tfus	394.00 ± 2.00	K	NIST
Tfus	Outlier 355.00 ± 20.00	K	NIST
Tfus	393.00 ± 3.00	K	NIST
Tfus	394.10 ± 1.00	K	NIST
Tfus	392.70 ± 2.00	K	NIST
Tfus	394.00 ± 1.00	K	NIST
Tfus	392.90 ± 1.00	K	NIST
Tfus	394.00 ± 1.00	K	NIST
Tfus	394.00 ± 1.00	K	NIST
Tfus	396.00 ± 2.00	K	NIST
Tfus	393.00 ± 1.00	K	NIST
Tfus	391.70 ± 3.00	K	NIST
Tfus	394.70 ± 1.00	K	NIST
Tfus	393.70 ± 1.00	K	NIST
Tfus	395.00 ± 1.00	K	NIST
Tfus	394.70 ± 1.00	K	NIST
Tfus	391.00 ± 2.00	K	NIST
Tfus	391.00 ± 3.00	K	NIST
Tfus	392.70 ± 2.00	K	NIST
Tfus	394.00 ± 1.00	K	NIST
Tfus	394.00 ± 2.00	K	NIST
Tfus	398.00 ± 2.00	K	NIST
Tfus	398.00 ± 2.00	K	NIST
Tfus	394.00 ± 2.00	K	NIST
Tfus	394.00 ± 2.00	K	NIST
Tfus	394.00 ± 2.00	K	NIST
Tfus	395.00 ± 2.00	K	NIST
Tfus	395.70 ± 3.00	K	NIST
Tfus	394.00 ± 3.00	K	NIST
Tfus	394.00 ± 3.00	K	NIST
Tfus	394.00 ± 3.00	K	NIST
Tfus	394.00 ± 3.00	K	NIST
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.85; 457.50]	J/mol×K	[583.04; 824.77]
Cp,gas	371.85	J/mol×K	583.04	Joback Calculated Property
Cp,gas	388.95	J/mol×K	623.33	Joback Calculated Property
Cp,gas	404.83	J/mol×K	663.62	Joback Calculated Property
Cp,gas	419.57	J/mol×K	703.90	Joback Calculated Property
Cp,gas	433.22	J/mol×K	744.19	Joback Calculated Property
Cp,gas	445.84	J/mol×K	784.48	Joback Calculated Property
Cp,gas	457.50	J/mol×K	824.77	Joback Calculated Property
η	[0.0001716; 0.0014925]	Pa×s	[325.42; 583.04]
η	0.0014925	Pa×s	325.42	Joback Calculated Property
η	0.0008435	Pa×s	368.36	Joback Calculated Property
η	0.0005371	Pa×s	411.29	Joback Calculated Property
η	0.0003724	Pa×s	454.23	Joback Calculated Property
η	0.0002751	Pa×s	497.17	Joback Calculated Property
η	0.0002132	Pa×s	540.10	Joback Calculated Property
η	0.0001716	Pa×s	583.04	Joback Calculated Property
ΔvapH	95.17	kJ/mol	298.15	Vapour ...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[422.92; 604.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42880e+01
Coefficient B			-4.54144e+03
Coefficient C			-9.85400e+01
Temperature range, min.			422.92
Temperature range, max.			604.47
Pvap	1.33	kPa	422.92	Calculated Property
Pvap	3.03	kPa	443.09	Calculated Property
Pvap	6.27	kPa	463.26	Calculated Property
Pvap	12.05	kPa	483.44	Calculated Property
Pvap	21.68	kPa	503.61	Calculated Property
Pvap	36.90	kPa	523.78	Calculated Property
Pvap	59.86	kPa	543.95	Calculated Property
Pvap	93.10	kPa	564.13	Calculated Property
Pvap	139.60	kPa	584.30	Calculated Property
Pvap	202.66	kPa	604.47	Calculated Property

Similar Compounds

Find more compounds similar to 4,4'-Dimethylbiphenyl.

Sources

• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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