Chemical Properties of 7-methyloctan-3-one (CAS 5408-57-1)

InChI

InChI=1S/C9H18O/c1-4-9(10)7-5-6-8(2)3/h8H,4-7H2,1-3H3

InChI Key

RRPXLLKTJMWBGE-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CCC(=O)CCCC(C)C

Molecular Weight¹

142.24

CAS

5408-57-1

• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.02; 473.20]	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			3.84000e-01
Coefficient B			8.36760e-01
Coefficient C			-4.50300e-04
Coefficient D			8.63600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.02	J/mol×K	273.00	Calculated Property
Cp,gas	243.88	J/mol×K	353.78	Calculated Property
Cp,gas	286.06	J/mol×K	434.56	Calculated Property
Cp,gas	323.83	J/mol×K	515.33	Calculated Property
Cp,gas	357.47	J/mol×K	596.11	Calculated Property
Cp,gas	387.24	J/mol×K	676.89	Calculated Property
Cp,gas	413.43	J/mol×K	757.67	Calculated Property
Cp,gas	436.31	J/mol×K	838.44	Calculated Property
Cp,gas	456.14	J/mol×K	919.22	Calculated Property
Cp,gas	473.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0068479; 0.0002956]	Pa×s	[226.12; 445.84]	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			-1.13605e+01
Coefficient B			1.44189e+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.			226.12
Temperature range, max.			445.84
η	0.0068479	Pa×s	226.12	Calculated Property
η	0.0036787	Pa×s	250.53	Calculated Property
η	0.0022068	Pa×s	274.95	Calculated Property
η	0.0014389	Pa×s	299.36	Calculated Property
η	0.0010007	Pa×s	323.77	Calculated Property
η	0.0007323	Pa×s	348.19	Calculated Property
η	0.0005583	Pa×s	372.60	Calculated Property
η	0.0004400	Pa×s	397.01	Calculated Property
η	0.0003566	Pa×s	421.43	Calculated Property
η	0.0002956	Pa×s	445.84	Calculated Property

Similar Compounds

Find more compounds similar to 7-methyloctan-3-one.

Sources

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

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