Chemical Properties of 1,1'-Biphenyl, 4-methyl- (CAS 644-08-6)

InChI

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

InChI Key

ZZLCFHIKESPLTH-UHFFFAOYSA-N

Formula

C13H12

SMILES

Cc1ccc(-c2ccccc2)cc1

Molecular Weight¹

168.23

CAS

644-08-6

Other Names

• (4-Methylphenyl)benzene
• 1-Methyl-4-phenylbenzene
• 4-Methyl-1,1'-biphenyl
• 4-Methylbiphenyl
• 4-Methyldiphenyl
• 4-Phenyltoluene
• Biphenyl, 4-methyl-
• FEMA 3186
• NSC 407669
• p-Methylbiphenyl
• p-Methyldiphenyl
• p-Phenyltoluene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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_boilr : Boiling point at reduced pressure (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	817.90	kJ/mol	NIST
BasG	785.40	kJ/mol	NIST
ΔcH°solid	[-6888.60; -6886.00]	kJ/mol
ΔcH°solid	-6888.60 ± 1.80	kJ/mol	NIST
ΔcH°solid	-6886.00 ± 7.10	kJ/mol	NIST
ΔfG°	273.77	kJ/mol	Joback Calculated Property
ΔfH°gas	138.20 ± 2.90	kJ/mol	NIST
ΔfH°solid	58.00 ± 2.50	kJ/mol	NIST
ΔfusH°	12.29	kJ/mol	The hea...
ΔsubH°	[80.20; 80.20]	kJ/mol
ΔsubH°	80.20 ± 1.40	kJ/mol	NIST
ΔsubH°	80.20 ± 1.40	kJ/mol	NIST
ΔsubH°	80.20	kJ/mol	NIST
ΔvapH°	49.75	kJ/mol	Joback Calculated Property
IE	[7.80; 8.60]	eV
IE	8.60 ± 0.10	eV	NIST
IE	7.80 ± 0.02	eV	NIST
log10WS	[-4.62; -4.62]
log10WS	-4.62		Aq. Sol...
log10WS	-4.62		Estimat...
logPoct/wat	3.662		Crippen Calculated Property
McVol	146.510	ml/mol	McGowan Calculated Property
Pc	3022.28	kPa	Joback Calculated Property
Inp	[254.66; 1519.00]
Inp	1504.00		NIST
Inp	1472.70		NIST
Inp	1484.50		NIST
Inp	1478.00		NIST
Inp	1511.00		NIST
Inp	1492.20		NIST
Inp	1492.30		NIST
Inp	1482.80		NIST
Inp	1492.20		NIST
Inp	1497.30		NIST
Inp	1482.80		NIST
Inp	1492.20		NIST
Inp	1497.30		NIST
Inp	1492.20		NIST
Inp	1492.30		NIST
Inp	1501.00		NIST
Inp	1473.00		NIST
Inp	1465.00		NIST
Inp	1466.00		NIST
Inp	1499.00		NIST
Inp	1455.00		NIST
Inp	1519.00		NIST
Inp	1519.00		NIST
Inp	257.30		NIST
Inp	254.66		NIST
Inp	256.00		NIST
Inp	256.12		NIST
Inp	256.69		NIST
Inp	254.71		NIST
Inp	255.90		NIST
Inp	255.60		NIST
Inp	256.70		NIST
Inp	257.30		NIST
Inp	254.71		NIST
Inp	1492.20		NIST
Inp	1482.80		NIST
Inp	1501.00		NIST
Inp	255.90		NIST
I	[2117.00; 2182.00]
I	2182.00		NIST
I	2134.00		NIST
I	2117.00		NIST
I	2117.00		NIST
I	2182.00		NIST
Tboil	547.50	K	Vapour ...
Tc	800.99	K	Joback Calculated Property
Tfus	320.98	K	Aq. Sol...
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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[404.52; 574.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45305e+01
Coefficient B			-4.44911e+03
Coefficient C			-9.21460e+01
Temperature range, min.			404.52
Temperature range, max.			574.75
Pvap	1.33	kPa	404.52	Calculated Property
Pvap	3.01	kPa	423.43	Calculated Property
Pvap	6.21	kPa	442.35	Calculated Property
Pvap	11.91	kPa	461.26	Calculated Property
Pvap	21.43	kPa	480.18	Calculated Property
Pvap	36.51	kPa	499.09	Calculated Property
Pvap	59.33	kPa	518.01	Calculated Property
Pvap	92.52	kPa	536.92	Calculated Property
Pvap	139.14	kPa	555.84	Calculated Property
Pvap	202.65	kPa	574.75	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 4-methyl-.

Mixtures

• 1,1'-Biphenyl, 4-methyl- + Carbon dioxide

Sources

• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
• The heat capacities and thermodynamic functions of 4-methylbiphenyl and 4-tert-butylbiphenyl
• Solubilities of p-Tolylboronic Acid, Bromobenzene and 4-Phenyltoluene in Carbon Dioxide at Elevated Pressures
• Solubilities of 4-Phenyltoluene, Phenylboric Acid, Biphenyl, and Iodobenzene in Carbon Dioxide from Measurements of the Relative Permittivity
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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