Chemical Properties of 4,4'-Diisopropylbiphenyl (CAS 18970-30-4)

InChI

InChI=1S/C18H22/c1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3

InChI Key

NUEUMFZLNOCRCQ-UHFFFAOYSA-N

Formula

C18H22

SMILES

CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1

Molecular Weight¹

238.37

CAS

18970-30-4

Other Names

• 1,1'-Biphenyl, 4,4'-bis-(1-methylethyl)
• 1,1'-Biphenyl, 4,4'-diisopropyl
• 3,4'-Diisopropylbiphenyl
• Biphenyl, 4,4'-diisopropyl-
• p,p'-Diisopropylbiphenyl

• 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_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).
• I_np : Non-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
ω	0.5237		Relay (1.0) Calculated Property
ΔfG°	301.36	kJ/mol	Joback Calculated Property
ΔfH°gas	16.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.63	kJ/mol	Joback Calculated Property
ΔvapH°	90.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	5.600		Crippen Calculated Property
McVol	216.960	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[1963.00; 1963.00]
Inp	1963.00		NIST
Inp	1963.00		NIST
Tboil	608.00 ± 10.00	K	NIST
Tc	820.38	K	Relay (1.0) Calculated Property
Tfus	[322.00; 339.15]	K
Tfus	339.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	339.00 ± 4.00	K	NIST
Tfus	322.00 ± 3.00	K	NIST
Tfus	338.00 ± 20.00	K	NIST
Tfus	322.00 ± 2.00	K	NIST
Vc	0.810	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.29; 705.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.60500e+01
Coefficient B			1.44888e+00
Coefficient C			-8.90120e-04
Coefficient D			2.03200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.29	J/mol×K	273.00	Calculated Property
Cp,gas	354.12	J/mol×K	353.78	Calculated Property
Cp,gas	422.15	J/mol×K	434.56	Calculated Property
Cp,gas	482.03	J/mol×K	515.33	Calculated Property
Cp,gas	534.38	J/mol×K	596.11	Calculated Property
Cp,gas	579.87	J/mol×K	676.89	Calculated Property
Cp,gas	619.12	J/mol×K	757.67	Calculated Property
Cp,gas	652.78	J/mol×K	838.44	Calculated Property
Cp,gas	681.50	J/mol×K	919.22	Calculated Property
Cp,gas	705.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023858; 0.0001267]	Pa×s	[332.03; 634.34]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21982e+01
Coefficient B			2.04528e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			332.03
Temperature range, max.			634.34
η	0.0023858	Pa×s	332.03	Calculated Property
η	0.0013547	Pa×s	365.62	Calculated Property
η	0.0008461	Pa×s	399.21	Calculated Property
η	0.0005685	Pa×s	432.80	Calculated Property
η	0.0004045	Pa×s	466.39	Calculated Property
η	0.0003013	Pa×s	499.98	Calculated Property
η	0.0002329	Pa×s	533.57	Calculated Property
η	0.0001856	Pa×s	567.16	Calculated Property
η	0.0001517	Pa×s	600.75	Calculated Property
η	0.0001267	Pa×s	634.34	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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