Chemical Properties of Isopropyl phenyl ketone (CAS 611-70-1)

InChI

InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3

InChI Key

BSMGLVDZZMBWQB-UHFFFAOYSA-N

Formula

C10H12O

SMILES

CC(C)C(=O)c1ccccc1

Molecular Weight¹

148.20

CAS

611-70-1

Other Names

• 1-Propanone, 2-methyl-1-phenyl-
• Isobutyrophenone
• «alpha»-Methylpropiophenone
• Phenyl isopropyl ketone
• 2-Methylpropiophenone
• 2-Methyl-1-phenyl-1-propanone

• ω : Acentric Factor.
• BasG : Gas basicity (kJ/mol).
• 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_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	0.4250		Relay (1.0) Calculated Property
BasG	839.30	kJ/mol	NIST
ΔfG°	14.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-139.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.77	kJ/mol	Joback Calculated Property
ΔvapH°	61.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	2.525		Crippen Calculated Property
McVol	129.570	ml/mol	McGowan Calculated Property
Pc	3170.40	kPa	Joback Calculated Property
Inp	[1174.00; 1185.00]
Inp	1185.00		NIST
Inp	1174.00		NIST
Inp	1185.00		NIST
Tboil	490.20	K	NIST
Tc	700.74	K	Relay (1.0) Calculated Property
Tfus	287.62	K	Relay (1.0) Calculated Property
Vc	0.475	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[359.20; 493.20]	K	[0.50; 99.50]
Tboilr	359.20	K	0.50	NIST
Tboilr	493.20	K	99.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.97; 406.27]	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			-3.44300e+01
Coefficient B			8.52840e-01
Coefficient C			-5.35900e-04
Coefficient D			1.23760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.97	J/mol×K	273.00	Calculated Property
Cp,gas	205.69	J/mol×K	353.78	Calculated Property
Cp,gas	245.13	J/mol×K	434.56	Calculated Property
Cp,gas	279.69	J/mol×K	515.33	Calculated Property
Cp,gas	309.74	J/mol×K	596.11	Calculated Property
Cp,gas	335.69	J/mol×K	676.89	Calculated Property
Cp,gas	357.93	J/mol×K	757.67	Calculated Property
Cp,gas	376.84	J/mol×K	838.44	Calculated Property
Cp,gas	392.83	J/mol×K	919.22	Calculated Property
Cp,gas	406.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042828; 0.0002425]	Pa×s	[263.81; 509.93]	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			-1.14024e+01
Coefficient B			1.56947e+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.			263.81
Temperature range, max.			509.93
η	0.0042828	Pa×s	263.81	Calculated Property
η	0.0024494	Pa×s	291.16	Calculated Property
η	0.0015419	Pa×s	318.50	Calculated Property
η	0.0010443	Pa×s	345.85	Calculated Property
η	0.0007489	Pa×s	373.19	Calculated Property
η	0.0005620	Pa×s	400.54	Calculated Property
η	0.0004375	Pa×s	427.89	Calculated Property
η	0.0003510	Pa×s	455.23	Calculated Property
η	0.0002887	Pa×s	482.58	Calculated Property
η	0.0002425	Pa×s	509.93	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl phenyl ketone.

Sources

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

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