Chemical Properties of 3'-methylpropiophenone (CAS 51772-30-6)

InChI

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

InChI Key

QHVNQIJBHWOZRJ-UHFFFAOYSA-N

Formula

C10H12O

SMILES

CCC(=O)c1cccc(C)c1

Molecular Weight¹

148.20

CAS

51772-30-6

• 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).
• 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

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[405.70; 507.20]	K	[4.00; 99.30]
Tboilr	405.70	K	4.00	NIST
Tboilr	507.20	K	99.30	NIST

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	[0.0022588; 0.0002541]	Pa×s	[291.33; 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
Temperature range, min.			291.33
Temperature range, max.			511.08
η	0.0022588	Pa×s	291.33	Calculated Property
η	0.0015249	Pa×s	315.75	Calculated Property
η	0.0010891	Pa×s	340.16	Calculated Property
η	0.0008138	Pa×s	364.58	Calculated Property
η	0.0006307	Pa×s	388.99	Calculated Property
η	0.0005037	Pa×s	413.41	Calculated Property
η	0.0004125	Pa×s	437.83	Calculated Property
η	0.0003451	Pa×s	462.24	Calculated Property
η	0.0002938	Pa×s	486.66	Calculated Property
η	0.0002541	Pa×s	511.08	Calculated Property

Similar Compounds

Find more compounds similar to 3'-methylpropiophenone.

Sources

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

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