Chemical Properties of MUSCONE

InChI

InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3

InChI Key

ALHUZKCOMYUFRB-UHFFFAOYSA-N

Formula

C16H30O

SMILES

CC1CCCCCCCCCCCCC(=O)C1

Molecular Weight¹

238.42

Other Names

• Cyclopentadecanone, 3-methyl-
• 3-Methylcyclopentadecanone
• 3-Methyl-1-cyclopentadecanone
• Moschus ketone
• Muskone
• Methylexaltone
• 3-methylcyclopentadecan-1-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Property	Value	Unit	Source
ω	0.3549		Relay (1.0) Calculated Property
ΔfG°	-123.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	75.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.85		Relay (1.0) Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	227.010	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[1831.00; 1831.00]
Inp	1831.00		NIST
Inp	1831.00		NIST
Inp	1831.00		NIST
Ip	[2281.00; 2281.00]
Ip	2281.00		NIST
Ip	2281.00		NIST
Ip	2281.00		NIST
Tboil	616.20	K	Relay (1.0) Calculated Property
Tc	827.55	K	Relay (1.0) Calculated Property
Tfus	319.73	K	Relay (1.0) Calculated Property
Vc	0.732	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.13; 845.00]	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			-8.69200e+01
Coefficient B			1.39122e+00
Coefficient C			-2.66000e-04
Coefficient D			-1.93300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.13	J/mol×K	273.00	Calculated Property
Cp,gas	363.41	J/mol×K	353.78	Calculated Property
Cp,gas	451.55	J/mol×K	434.56	Calculated Property
Cp,gas	532.93	J/mol×K	515.33	Calculated Property
Cp,gas	606.93	J/mol×K	596.11	Calculated Property
Cp,gas	672.96	J/mol×K	676.89	Calculated Property
Cp,gas	730.39	J/mol×K	757.67	Calculated Property
Cp,gas	778.61	J/mol×K	838.44	Calculated Property
Cp,gas	817.02	J/mol×K	919.22	Calculated Property
Cp,gas	845.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to MUSCONE.

Sources

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

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