Chemical Properties of Mint ketone (Salvial-4(14)-en-1-one)

InChI

InChI=1S/C14H22O/c1-9(2)11-5-6-12-13(11)8-10(3)4-7-14(12)15/h9,11-13H,3-8H2,1-2H3/t11-,12?,13?/m1/s1

InChI Key

KILBVQYCOPAGMH-PNESKVBLSA-N

Formula

C14H22O

SMILES

C=C1CCC(=O)C2CCC(C(C)C)C2C1

Molecular Weight¹

206.32

Other Names

• Savial-4(14)-en-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).
• 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	0.3853		Relay (1.0) Calculated Property
ΔfG°	60.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-242.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
ΔvapH°	70.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1574.00; 1585.00]
Inp	1574.00		NIST
Inp	1585.00		NIST
Inp	1574.00		NIST
Tboil	556.90	K	Relay (1.0) Calculated Property
Tc	791.10	K	Relay (1.0) Calculated Property
Tfus	323.03	K	Relay (1.0) Calculated Property
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.61; 628.15]	J/mol×K	[612.15; 840.38]
Cp,gas	510.61	J/mol×K	612.15	Joback Calculated Property
Cp,gas	533.60	J/mol×K	650.19	Joback Calculated Property
Cp,gas	555.21	J/mol×K	688.23	Joback Calculated Property
Cp,gas	575.44	J/mol×K	726.27	Joback Calculated Property
Cp,gas	594.33	J/mol×K	764.30	Joback Calculated Property
Cp,gas	611.89	J/mol×K	802.34	Joback Calculated Property
Cp,gas	628.15	J/mol×K	840.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mint ketone (Salvial-4(14)-en-1-one).

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.