Chemical Properties of 4-Ethylbiphenyl (CAS 5707-44-8)

InChI

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

InChI Key

SRQOBNUBCLPPPH-UHFFFAOYSA-N

Formula

C14H14

SMILES

CCc1ccc(-c2ccccc2)cc1

Molecular Weight¹

182.26

CAS

5707-44-8

Other Names

• 1,1'-Biphenyl, 4-ethyl-
• 1-Ethyl-4-phenylbenzene
• Biphenyl, 4-ethyl-
• p-Ethylbiphenyl

• 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).
• P_vap : Vapor 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	0.4255		Relay (1.0) Calculated Property
ΔfG°	282.19	kJ/mol	Joback Calculated Property
ΔfH°gas	143.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	74.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-5.31		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	[1647.00; 1661.00]
Inp	1647.00		NIST
Inp	1661.00		NIST
Ip	[2220.00; 2268.00]
Ip	2268.00		NIST
Ip	2220.00		NIST
Tboil	559.67	K	Relay (1.0) Calculated Property
Tc	775.69	K	Relay (1.0) Calculated Property
Tfus	[306.00; 320.00]	K
Tfus	314.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	306.00 ± 4.00	K	NIST
Tfus	320.00 ± 2.00	K	NIST
Tfus	307.30 ± 1.00	K	NIST
Tfus	319.70 ± 2.00	K	NIST
Vc	0.605	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[419.70; 422.60]	K	[1.50; 1.60]
Tboilr	419.70	K	1.50	NIST
Tboilr	422.60	K	1.60	NIST

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	[0.0019295; 0.0001789]	Pa×s	[313.43; 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.			313.43
Temperature range, max.			573.30
η	0.0019295	Pa×s	313.43	Calculated Property
η	0.0012395	Pa×s	342.30	Calculated Property
η	0.0008530	Pa×s	371.18	Calculated Property
η	0.0006196	Pa×s	400.05	Calculated Property
η	0.0004698	Pa×s	428.93	Calculated Property
η	0.0003689	Pa×s	457.80	Calculated Property
η	0.0002981	Pa×s	486.68	Calculated Property
η	0.0002467	Pa×s	515.55	Calculated Property
η	0.0002083	Pa×s	544.43	Calculated Property
η	0.0001789	Pa×s	573.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[414.92; 581.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49407e+01
Coefficient B			-4.67667e+03
Coefficient C			-9.57600e+01
Temperature range, min.			414.92
Temperature range, max.			581.44
Pvap	1.33	kPa	414.92	Calculated Property
Pvap	2.98	kPa	433.42	Calculated Property
Pvap	6.11	kPa	451.92	Calculated Property
Pvap	11.69	kPa	470.43	Calculated Property
Pvap	21.03	kPa	488.93	Calculated Property
Pvap	35.89	kPa	507.43	Calculated Property
Pvap	58.50	kPa	525.93	Calculated Property
Pvap	91.59	kPa	544.44	Calculated Property
Pvap	138.40	kPa	562.94	Calculated Property
Pvap	202.66	kPa	581.44	Calculated Property

Similar Compounds

Find more compounds similar to 4-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
• The Yaws Handbook of Vapor Pressure

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