Chemical Properties of 1,1'-Biphenyl, 3,4-diethyl- (CAS 61141-66-0)

InChI

InChI=1S/C16H18/c1-3-13-10-11-16(12-14(13)4-2)15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3

InChI Key

ZTLWBQOFTIFRHI-UHFFFAOYSA-N

Formula

C16H18

SMILES

CCc1ccc(-c2ccccc2)cc1CC

Molecular Weight¹

210.31

CAS

61141-66-0

Other Names

• 3,4-Diethyl-1,1'-biphenyl

• ω : Acentric Factor.
• 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_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.
• 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
ω	0.5086		Relay (1.0) Calculated Property
ΔfG°	289.40	kJ/mol	Joback Calculated Property
ΔfH°gas	101.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔvapH°	83.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	4.478		Crippen Calculated Property
McVol	188.780	ml/mol	McGowan Calculated Property
Pc	2220.80	kPa	Joback Calculated Property
Inp	1692.00		NIST
I	[2228.00; 2228.00]
I	2228.00		NIST
I	2228.00		NIST
Tboil	584.51	K	Relay (1.0) Calculated Property
Tc	795.62	K	Relay (1.0) Calculated Property
Tfus	290.31	K	Relay (1.0) Calculated Property
Vc	0.705	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.49; 601.65]	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			-5.08680e+01
Coefficient B			1.24704e+00
Coefficient C			-7.74920e-04
Coefficient D			1.80400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.49	J/mol×K	273.00	Calculated Property
Cp,gas	301.31	J/mol×K	353.78	Calculated Property
Cp,gas	359.51	J/mol×K	434.56	Calculated Property
Cp,gas	410.67	J/mol×K	515.33	Calculated Property
Cp,gas	455.35	J/mol×K	596.11	Calculated Property
Cp,gas	494.14	J/mol×K	676.89	Calculated Property
Cp,gas	527.59	J/mol×K	757.67	Calculated Property
Cp,gas	556.28	J/mol×K	838.44	Calculated Property
Cp,gas	580.77	J/mol×K	919.22	Calculated Property
Cp,gas	601.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014473; 0.0001663]	Pa×s	[347.96; 602.70]	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			-1.16574e+01
Coefficient B			1.78132e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			347.96
Temperature range, max.			602.70
η	0.0014473	Pa×s	347.96	Calculated Property
η	0.0009847	Pa×s	376.26	Calculated Property
η	0.0007071	Pa×s	404.57	Calculated Property
η	0.0005302	Pa×s	432.87	Calculated Property
η	0.0004119	Pa×s	461.18	Calculated Property
η	0.0003294	Pa×s	489.48	Calculated Property
η	0.0002700	Pa×s	517.79	Calculated Property
η	0.0002259	Pa×s	546.09	Calculated Property
η	0.0001924	Pa×s	574.40	Calculated Property
η	0.0001663	Pa×s	602.70	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 3,4-diethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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