Chemical Properties of Faurinone

InChI

InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3/t12-,13?,14-,15+/m1/s1

InChI Key

SSCVGFQOFLDIGI-FFHGMXDLSA-N

Formula

C15H26O

SMILES

CC(=O)C1C(C(C)C)CCC2(C)CCCC12

Molecular Weight¹

222.37

• 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°	8.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.11	kJ/mol	Joback Calculated Property
ΔfusH°	18.50	kJ/mol	Joback Calculated Property
ΔvapH°	53.91	kJ/mol	Joback Calculated Property
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Inp	[1526.00; 1526.00]
Inp	1526.00		NIST
Inp	1526.00		NIST
Tboil	613.22	K	Joback Calculated Property
Tc	831.03	K	Joback Calculated Property
Tfus	334.48	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.80; 691.44]	J/mol×K	[613.22; 831.03]
Cp,gas	570.80	J/mol×K	613.22	Joback Calculated Property
Cp,gas	593.78	J/mol×K	649.52	Joback Calculated Property
Cp,gas	615.41	J/mol×K	685.82	Joback Calculated Property
Cp,gas	635.85	J/mol×K	722.13	Joback Calculated Property
Cp,gas	655.24	J/mol×K	758.43	Joback Calculated Property
Cp,gas	673.72	J/mol×K	794.73	Joback Calculated Property
Cp,gas	691.44	J/mol×K	831.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Faurinone.

Sources

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

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