Chemical Properties of 3-Ethylbiphenyl (CAS 5668-93-9)

InChI

InChI=1S/C14H14/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13/h3-11H,2H2,1H3

InChI Key

HUXKTWJQSHBZIV-UHFFFAOYSA-N

Formula

C14H14

SMILES

CCc1cccc(-c2ccccc2)c1

Molecular Weight¹

182.26

CAS

5668-93-9

Other Names

• 1,1'-Biphenyl, 3-ethyl-
• Biphenyl, 3-ethyl-

• 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_p : 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
ω	0.4239		Relay (1.0) Calculated Property
ΔfG°	282.19	kJ/mol	Joback Calculated Property
ΔfH°gas	145.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	74.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	3.916		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
Inp	[1621.00; 1633.00]
Inp	1628.00		NIST
Inp	1621.00		NIST
Inp	1633.00		NIST
Inp	1628.00		NIST
Ip	[2190.00; 2234.00]
Ip	2234.00		NIST
Ip	2190.00		NIST
Tboil	559.11 ± 1.00	K	NIST
Tc	776.99	K	Relay (1.0) Calculated Property
Tfus	[245.40; 245.58]	K
Tfus	245.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	245.58 ± 0.20	K	NIST
Vc	0.603	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.51; 501.51]	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			-6.33490e+01
Coefficient B			1.11652e+00
Coefficient C			-7.33160e-04
Coefficient D			1.81500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.51	J/mol×K	273.00	Calculated Property
Cp,gas	247.93	J/mol×K	353.78	Calculated Property
Cp,gas	298.29	J/mol×K	434.56	Calculated Property
Cp,gas	342.17	J/mol×K	515.33	Calculated Property
Cp,gas	380.14	J/mol×K	596.11	Calculated Property
Cp,gas	412.78	J/mol×K	676.89	Calculated Property
Cp,gas	440.67	J/mol×K	757.67	Calculated Property
Cp,gas	464.37	J/mol×K	838.44	Calculated Property
Cp,gas	484.46	J/mol×K	919.22	Calculated Property
Cp,gas	501.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082408; 0.0001789]	Pa×s	[245.49; 573.30]	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			-1.14965e+01
Coefficient B			1.64426e+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.			245.49
Temperature range, max.			573.30
η	0.0082408	Pa×s	245.49	Calculated Property
η	0.0034685	Pa×s	281.91	Calculated Property
η	0.0017796	Pa×s	318.34	Calculated Property
η	0.0010471	Pa×s	354.76	Calculated Property
η	0.0006801	Pa×s	391.19	Calculated Property
η	0.0004754	Pa×s	427.61	Calculated Property
η	0.0003516	Pa×s	464.03	Calculated Property
η	0.0002716	Pa×s	500.46	Calculated Property
η	0.0002174	Pa×s	536.88	Calculated Property
η	0.0001789	Pa×s	573.30	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethylbiphenyl.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.