Chemical Properties of 3-Ethylbenzophenone (CAS 66067-43-4)

InChI

InChI=1S/C15H14O/c1-2-12-7-6-10-14(11-12)15(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3

InChI Key

FVSYHKJWZIKKDM-UHFFFAOYSA-N

Formula

C15H14O

SMILES

CCc1cccc(C(=O)c2ccccc2)c1

Molecular Weight¹

210.27

CAS

66067-43-4

• 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.
• 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	0.5561		Relay (1.0) Calculated Property
ΔfG°	161.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-16.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.90	kJ/mol	Joback Calculated Property
ΔvapH°	94.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	176.260	ml/mol	McGowan Calculated Property
Pc	2635.25	kPa	Joback Calculated Property
Inp	[1826.00; 1826.00]
Inp	1826.00		NIST
Inp	1826.00		NIST
Tboil	603.49	K	Relay (1.0) Calculated Property
Tc	839.37	K	Relay (1.0) Calculated Property
Tfus	285.10	K	Relay (1.0) Calculated Property
Vc	0.647	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.65; 542.12]	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			-5.68990e+01
Coefficient B			1.18352e+00
Coefficient C			-7.68860e-04
Coefficient D			1.84360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.65	J/mol×K	273.00	Calculated Property
Cp,gas	273.74	J/mol×K	353.78	Calculated Property
Cp,gas	327.34	J/mol×K	434.56	Calculated Property
Cp,gas	374.05	J/mol×K	515.33	Calculated Property
Cp,gas	414.45	J/mol×K	596.11	Calculated Property
Cp,gas	449.11	J/mol×K	676.89	Calculated Property
Cp,gas	478.63	J/mol×K	757.67	Calculated Property
Cp,gas	503.58	J/mol×K	838.44	Calculated Property
Cp,gas	524.55	J/mol×K	919.22	Calculated Property
Cp,gas	542.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016640; 0.0001947]	Pa×s	[374.10; 628.18]	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			-1.17036e+01
Coefficient B			1.98461e+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.			374.10
Temperature range, max.			628.18
η	0.0016640	Pa×s	374.10	Calculated Property
η	0.0011468	Pa×s	402.33	Calculated Property
η	0.0008299	Pa×s	430.56	Calculated Property
η	0.0006249	Pa×s	458.79	Calculated Property
η	0.0004863	Pa×s	487.02	Calculated Property
η	0.0003890	Pa×s	515.25	Calculated Property
η	0.0003185	Pa×s	543.49	Calculated Property
η	0.0002659	Pa×s	571.72	Calculated Property
η	0.0002259	Pa×s	599.95	Calculated Property
η	0.0001947	Pa×s	628.18	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethylbenzophenone.

Sources

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

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