Chemical Properties of 2-Buten-1-one, 1-phenyl- (CAS 495-41-0)

InChI

InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+

InChI Key

FUJZJBCWPIOHHN-QHHAFSJGSA-N

Formula

C10H10O

SMILES

CC=CC(=O)c1ccccc1

Molecular Weight¹

146.19

CAS

495-41-0

Other Names

• Crotonophenone
• Ethylideneacetophenone
• Phenyl propenyl ketone
• Phenyl 1-propenyl ketone
• 2-Butenophenone
• 1-Benzoyl-1-propene
• 1-Phenyl-2-buten-1-one

• 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_p : 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	0.4157		Relay (1.0) Calculated Property
ΔfG°	97.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-13.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.50	kJ/mol	Joback Calculated Property
ΔvapH°	64.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-2.64		Relay (1.0) Calculated Property
logPoct/wat	2.445		Crippen Calculated Property
McVol	125.270	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Ip	[2095.00; 2095.00]
Ip	2095.00		NIST
Ip	2095.00		NIST
Tboil	502.77	K	Relay (1.0) Calculated Property
Tc	727.21	K	Relay (1.0) Calculated Property
Tfus	284.80	K	Relay (1.0) Calculated Property
Vc	0.447	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.28; 375.15]	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			-4.69300e+01
Coefficient B			8.66920e-01
Coefficient C			-6.16500e-04
Coefficient D			1.71660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.28	J/mol×K	273.00	Calculated Property
Cp,gas	190.21	J/mol×K	353.78	Calculated Property
Cp,gas	227.46	J/mol×K	434.56	Calculated Property
Cp,gas	259.59	J/mol×K	515.33	Calculated Property
Cp,gas	287.14	J/mol×K	596.11	Calculated Property
Cp,gas	310.65	J/mol×K	676.89	Calculated Property
Cp,gas	330.66	J/mol×K	757.67	Calculated Property
Cp,gas	347.72	J/mol×K	838.44	Calculated Property
Cp,gas	362.37	J/mol×K	919.22	Calculated Property
Cp,gas	375.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028529; 0.0002136]	Pa×s	[273.73; 516.95]	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			-1.13681e+01
Coefficient B			1.50789e+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.			273.73
Temperature range, max.			516.95
η	0.0028529	Pa×s	273.73	Calculated Property
η	0.0017391	Pa×s	300.75	Calculated Property
η	0.0011502	Pa×s	327.78	Calculated Property
η	0.0008102	Pa×s	354.80	Calculated Property
η	0.0005998	Pa×s	381.83	Calculated Property
η	0.0004620	Pa×s	408.85	Calculated Property
η	0.0003675	Pa×s	435.88	Calculated Property
η	0.0003003	Pa×s	462.90	Calculated Property
η	0.0002509	Pa×s	489.93	Calculated Property
η	0.0002136	Pa×s	516.95	Calculated Property

Similar Compounds

Find more compounds similar to 2-Buten-1-one, 1-phenyl-.

Sources

• 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.
These property values are available through the Cheméo API. A free account gives you an access key.