Chemical Properties of Methyl lavender ketone (CAS 67633-95-8)

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10(12)8-9-11/h11H,2-9H2,1H3

InChI Key

XDFCZUMLNOYOCH-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCCCC(=O)CCO

Molecular Weight¹

172.26

CAS

67633-95-8

Other Names

• 1-hydroxydecan-3-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_np : Non-polar retention indices.
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.05; 542.93]	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			6.44800e+00
Coefficient B			9.59820e-01
Coefficient C			-5.31900e-04
Coefficient D			1.08560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.05	J/mol×K	273.00	Calculated Property
Cp,gas	284.25	J/mol×K	353.78	Calculated Property
Cp,gas	332.01	J/mol×K	434.56	Calculated Property
Cp,gas	374.68	J/mol×K	515.33	Calculated Property
Cp,gas	412.59	J/mol×K	596.11	Calculated Property
Cp,gas	446.10	J/mol×K	676.89	Calculated Property
Cp,gas	475.55	J/mol×K	757.67	Calculated Property
Cp,gas	501.27	J/mol×K	838.44	Calculated Property
Cp,gas	523.62	J/mol×K	919.22	Calculated Property
Cp,gas	542.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0111394; 0.0001895]	Pa×s	[313.21; 519.03]	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			-1.47709e+01
Coefficient B			3.21782e+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.			313.21
Temperature range, max.			519.03
η	0.0111394	Pa×s	313.21	Calculated Property
η	0.0055367	Pa×s	336.08	Calculated Property
η	0.0030083	Pa×s	358.95	Calculated Property
η	0.0017585	Pa×s	381.82	Calculated Property
η	0.0010922	Pa×s	404.69	Calculated Property
η	0.0007138	Pa×s	427.56	Calculated Property
η	0.0004871	Pa×s	450.42	Calculated Property
η	0.0003449	Pa×s	473.29	Calculated Property
η	0.0002521	Pa×s	496.16	Calculated Property
η	0.0001895	Pa×s	519.03	Calculated Property

Similar Compounds

Find more compounds similar to Methyl lavender ketone.

Sources

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

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