Chemical Properties of Salvial-4(14)-en-1-one (CAS 73809-82-2)

InChI

InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h10,12-13H,3,5-9H2,1-2,4H3

InChI Key

JBOONPKUPONSIB-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1CCC(=O)C2(C)CCC(C(C)C)C2C1

Molecular Weight¹

220.35

CAS

73809-82-2

Other Names

• Salvia-4(14)-en-1-one
• 4(14)-Salvialene-1-one
• Salvial-4(14)-en-1-on
• Salivial-4(14)-en-1-one
• Salvial-4(14)-en-1-one (mint ketone)

• 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.
• I : 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	0.3798		Relay (1.0) Calculated Property
ΔfG°	63.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-229.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.08	kJ/mol	Joback Calculated Property
ΔvapH°	68.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	3.984		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[1562.00; 1637.00]
Inp	1583.00		NIST
Inp	1595.00		NIST
Inp	1599.00		NIST
Inp	1578.00		NIST
Inp	1589.00		NIST
Inp	1595.00		NIST
Inp	1591.00		NIST
Inp	1592.00		NIST
Inp	Outlier 1563.00		NIST
Inp	1586.00		NIST
Inp	1590.00		NIST
Inp	1598.00		NIST
Inp	1589.00		NIST
Inp	1568.00		NIST
Inp	1602.70		NIST
Inp	1595.00		NIST
Inp	1603.00		NIST
Inp	1590.00		NIST
Inp	1607.00		NIST
Inp	1584.00		NIST
Inp	Outlier 1637.00		NIST
Inp	1592.00		NIST
Inp	1593.00		NIST
Inp	1587.00		NIST
Inp	1595.00		NIST
Inp	1574.00		NIST
Inp	Outlier 1562.00		NIST
Inp	1614.00		NIST
Inp	1593.00		NIST
Inp	1595.00		NIST
Inp	1592.00		NIST
Inp	1593.00		NIST
Inp	1604.00		NIST
Inp	1595.00		NIST
Inp	1584.00		NIST
Inp	1579.00		NIST
Inp	1594.00		NIST
Inp	1588.00		NIST
Inp	1588.00		NIST
Inp	1595.00		NIST
Inp	1584.00		NIST
Inp	1610.00		NIST
Inp	1587.00		NIST
Inp	1595.00		NIST
Inp	Outlier 1634.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1585.00		NIST
Inp	1582.00		NIST
Inp	1602.70		NIST
I	[1995.00; 2043.00]
I	Outlier 1995.00		NIST
I	Outlier 2013.00		NIST
I	2037.00		NIST
I	2030.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2043.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2037.00		NIST
I	2043.00		NIST
I	2035.00		NIST
I	2037.00		NIST
I	2016.00		NIST
Tboil	558.88	K	Relay (1.0) Calculated Property
Tc	790.12	K	Relay (1.0) Calculated Property
Tfus	328.69	K	Relay (1.0) Calculated Property
Vc	0.651	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.21; 684.43]	J/mol×K	[635.27; 867.84]
Cp,gas	562.21	J/mol×K	635.27	Joback Calculated Property
Cp,gas	585.42	J/mol×K	674.03	Joback Calculated Property
Cp,gas	607.31	J/mol×K	712.79	Joback Calculated Property
Cp,gas	628.03	J/mol×K	751.56	Joback Calculated Property
Cp,gas	647.71	J/mol×K	790.32	Joback Calculated Property
Cp,gas	666.46	J/mol×K	829.08	Joback Calculated Property
Cp,gas	684.43	J/mol×K	867.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.