Chemical Properties of Ethanone, 1-(4-ethylphenyl)- (CAS 937-30-4)

InChI

InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3

InChI Key

NODGRWCMFMEGJH-UHFFFAOYSA-N

Formula

C10H12O

SMILES

CCc1ccc(C(C)=O)cc1

Molecular Weight¹

148.20

CAS

937-30-4

Other Names

• 1-(4-Ethylphenyl)ethanone
• 4'-Ethylacetophenone
• 4-Ethylacetophenone
• Acetophenone, 4'-ethyl-
• p-Acetylethylbenzene
• p-Ethylacetophenone
• p-Ethylphenyl methyl ketone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4730		Relay (1.0) Calculated Property
ΔfG°	7.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-161.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.91	kJ/mol	Joback Calculated Property
ΔvapH°	68.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.452		Crippen Calculated Property
McVol	129.570	ml/mol	McGowan Calculated Property
Pc	3089.85	kPa	Joback Calculated Property
Inp	[1228.00; 1295.00]
Inp	1281.00		NIST
Inp	1273.80		NIST
Inp	1267.00		NIST
Inp	1281.00		NIST
Inp	1295.00		NIST
Inp	1277.00		NIST
Inp	1277.00		NIST
Inp	1274.00		NIST
Inp	1228.00		NIST
Inp	1245.00		NIST
Inp	1281.00		NIST
Inp	1228.00		NIST
Inp	1267.00		NIST
Ip	[1867.00; 1867.00]
Ip	1867.00		NIST
Ip	1867.00		NIST
Tboil	512.00 ± 2.00	K	NIST
Tc	720.70	K	Relay (1.0) Calculated Property
Tfus	[248.90; 252.60]	K
Tfus	252.55	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	248.90 ± 0.25	K	NIST
Tfus	252.60 ± 2.00	K	NIST
Vc	0.482	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[39.80; 42.20]	kJ/mol	[331.00; 358.00]
ΔvapH	42.20	kJ/mol	331.00	NIST
ΔvapH	39.80	kJ/mol	358.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.84; 402.69]	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			-1.84490e+01
Coefficient B			7.87440e-01
Coefficient C			-4.65660e-04
Coefficient D			9.93600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.84	J/mol×K	273.00	Calculated Property
Cp,gas	206.25	J/mol×K	353.78	Calculated Property
Cp,gas	243.96	J/mol×K	434.56	Calculated Property
Cp,gas	277.28	J/mol×K	515.33	Calculated Property
Cp,gas	306.53	J/mol×K	596.11	Calculated Property
Cp,gas	332.02	J/mol×K	676.89	Calculated Property
Cp,gas	354.07	J/mol×K	757.67	Calculated Property
Cp,gas	372.99	J/mol×K	838.44	Calculated Property
Cp,gas	389.09	J/mol×K	919.22	Calculated Property
Cp,gas	402.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050688; 0.0002541]	Pa×s	[251.35; 511.08]	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			-1.11744e+01
Coefficient B			1.48039e+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.			251.35
Temperature range, max.			511.08
η	0.0050688	Pa×s	251.35	Calculated Property
η	0.0027636	Pa×s	280.21	Calculated Property
η	0.0016875	Pa×s	309.07	Calculated Property
η	0.0011209	Pa×s	337.93	Calculated Property
η	0.0007941	Pa×s	366.78	Calculated Property
η	0.0005916	Pa×s	395.64	Calculated Property
η	0.0004587	Pa×s	424.50	Calculated Property
η	0.0003674	Pa×s	453.36	Calculated Property
η	0.0003022	Pa×s	482.22	Calculated Property
η	0.0002541	Pa×s	511.08	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(4-ethylphenyl)-.

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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