Chemical Properties of 9-methyldecan-3-one

InChI

InChI=1S/C11H22O/c1-4-11(12)9-7-5-6-8-10(2)3/h10H,4-9H2,1-3H3

InChI Key

UMUMYGFFTAWUQZ-UHFFFAOYSA-N

Formula

C11H22O

SMILES

CCC(=O)CCCCCC(C)C

Molecular Weight¹

170.30

• 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

Property	Value	Unit	Source
ω	0.5520		Relay (1.0) Calculated Property
ΔfG°	-89.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-413.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.32	kJ/mol	Joback Calculated Property
ΔvapH°	57.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	3.572		Crippen Calculated Property
McVol	167.420	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[1260.00; 1260.00]
Inp	1260.00		NIST
Inp	1260.00		NIST
Tboil	488.97	K	Relay (1.0) Calculated Property
Tc	670.98	K	Relay (1.0) Calculated Property
Tfus	282.23	K	Relay (1.0) Calculated Property
Vc	0.625	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.44; 576.39]	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			-1.43400e+00
Coefficient B			1.02676e+00
Coefficient C			-5.59100e-04
Coefficient D			1.10160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.44	J/mol×K	273.00	Calculated Property
Cp,gas	296.71	J/mol×K	353.78	Calculated Property
Cp,gas	348.21	J/mol×K	434.56	Calculated Property
Cp,gas	394.29	J/mol×K	515.33	Calculated Property
Cp,gas	435.29	J/mol×K	596.11	Calculated Property
Cp,gas	471.57	J/mol×K	676.89	Calculated Property
Cp,gas	503.47	J/mol×K	757.67	Calculated Property
Cp,gas	531.34	J/mol×K	838.44	Calculated Property
Cp,gas	555.53	J/mol×K	919.22	Calculated Property
Cp,gas	576.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065882; 0.0002882]	Pa×s	[248.66; 475.75]	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			-1.15785e+01
Coefficient B			1.63021e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.66
Temperature range, max.			475.75
η	0.0065882	Pa×s	248.66	Calculated Property
η	0.0036013	Pa×s	273.89	Calculated Property
η	0.0021798	Pa×s	299.13	Calculated Property
η	0.0014265	Pa×s	324.36	Calculated Property
η	0.0009925	Pa×s	349.59	Calculated Property
η	0.0007251	Pa×s	374.82	Calculated Property
η	0.0005511	Pa×s	400.06	Calculated Property
η	0.0004328	Pa×s	425.29	Calculated Property
η	0.0003492	Pa×s	450.52	Calculated Property
η	0.0002882	Pa×s	475.75	Calculated Property

Similar Compounds

Find more compounds similar to 9-methyldecan-3-one.

Sources

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

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