Chemical Properties of 1-Phenyl-2-(1-methylethyl)-2-propen-1-one

InChI

InChI=1S/C12H14O/c1-9(2)10(3)12(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3

InChI Key

JGGXQMKYHHNJAF-UHFFFAOYSA-N

Formula

C12H14O

SMILES

C=C(C(=O)c1ccccc1)C(C)C

Molecular Weight¹

174.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.4447		Relay (1.0) Calculated Property
ΔfG°	110.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.36	kJ/mol	Joback Calculated Property
ΔvapH°	64.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	3.082		Crippen Calculated Property
McVol	153.450	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[1351.00; 1351.00]
Inp	1351.00		NIST
Inp	1351.00		NIST
Tboil	510.62	K	Relay (1.0) Calculated Property
Tc	726.49	K	Relay (1.0) Calculated Property
Tfus	279.96	K	Relay (1.0) Calculated Property
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.74; 480.67]	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			-3.89300e+01
Coefficient B			1.02274e+00
Coefficient C			-6.69900e-04
Coefficient D			1.66760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.74	J/mol×K	273.00	Calculated Property
Cp,gas	246.43	J/mol×K	353.78	Calculated Property
Cp,gas	292.69	J/mol×K	434.56	Calculated Property
Cp,gas	333.04	J/mol×K	515.33	Calculated Property
Cp,gas	368.01	J/mol×K	596.11	Calculated Property
Cp,gas	398.14	J/mol×K	676.89	Calculated Property
Cp,gas	423.94	J/mol×K	757.67	Calculated Property
Cp,gas	445.94	J/mol×K	838.44	Calculated Property
Cp,gas	464.68	J/mol×K	919.22	Calculated Property
Cp,gas	480.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-2-(1-methylethyl)-2-propen-1-one.

Sources

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

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