Chemical Properties of Davanone B

InChI

InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15-/m1/s1

InChI Key

FJKKZNIYYVEYOL-JENMUQSASA-N

Formula

C15H24O2

SMILES

C=CC1(C)CCC(C(C)C(=O)CC=C(C)C)O1

Molecular Weight¹

236.35

• 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°	40.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.55	kJ/mol	Joback Calculated Property
ΔfusH°	26.98	kJ/mol	Joback Calculated Property
ΔvapH°	58.02	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.672		Crippen Calculated Property
McVol	210.190	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[1542.00; 1565.00]
Inp	1542.00		NIST
Inp	1542.00		NIST
Inp	1565.00		NIST
Inp	1546.00		NIST
Inp	1542.00		NIST
Tboil	634.55	K	Joback Calculated Property
Tc	845.68	K	Joback Calculated Property
Tfus	330.07	K	Joback Calculated Property
Vc	0.796	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.19; 675.35]	J/mol×K	[634.55; 845.68]
Cp,gas	573.19	J/mol×K	634.55	Joback Calculated Property
Cp,gas	592.37	J/mol×K	669.74	Joback Calculated Property
Cp,gas	610.50	J/mol×K	704.93	Joback Calculated Property
Cp,gas	627.73	J/mol×K	740.11	Joback Calculated Property
Cp,gas	644.19	J/mol×K	775.30	Joback Calculated Property
Cp,gas	660.02	J/mol×K	810.49	Joback Calculated Property
Cp,gas	675.35	J/mol×K	845.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Davanone B.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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