Chemical Properties of 4(14)-Salvialen-1-one

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/t12-,13-,15+/m1/s1

InChI Key

JBOONPKUPONSIB-NFAWXSAZSA-N

Formula

C15H24O

SMILES

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

Molecular Weight¹

220.35

• 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).
• 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
ΔfG°	63.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-295.81	kJ/mol	Joback Calculated Property
ΔfusH°	12.08	kJ/mol	Joback Calculated Property
ΔvapH°	52.06	kJ/mol	Joback Calculated Property
log10WS	-4.06		Crippen 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	[1580.00; 1602.00]
Inp	1580.00		NIST
Inp	1602.00		NIST
Tboil	635.27	K	Joback Calculated Property
Tc	867.84	K	Joback Calculated Property
Tfus	367.17	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback 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 4(14)-Salvialen-1-one.

Sources

• 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.