Chemical Properties of Pentadeca-1,3,7,12,14-pentaen-7-ol-9-one

InChI

InChI=1S/C15H20O2/c1-3-5-7-9-11-14(16)13-15(17)12-10-8-6-4-2/h3-8,13,16H,1-2,9-12H2/b7-5+,8-6+,14-13-

InChI Key

VKIXTEBVBVMACG-LBPZLPHVSA-N

Formula

C15H20O2

SMILES

C=CC=CCCC(=O)C=C(O)CCC=CC=C

Molecular Weight¹

232.32

• 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°	217.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-25.01	kJ/mol	Joback Calculated Property
ΔfusH°	37.03	kJ/mol	Joback Calculated Property
ΔvapH°	71.02	kJ/mol	Joback Calculated Property
log10WS	-4.47		Crippen Calculated Property
logPoct/wat	4.042		Crippen Calculated Property
McVol	208.150	ml/mol	McGowan Calculated Property
Pc	1961.34	kPa	Joback Calculated Property
Inp	[1773.00; 1773.00]
Inp	1773.00		NIST
Inp	1773.00		NIST
Tboil	694.37	K	Joback Calculated Property
Tc	881.36	K	Joback Calculated Property
Tfus	336.84	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.91; 616.16]	J/mol×K	[694.37; 881.36]
Cp,gas	547.91	J/mol×K	694.37	Joback Calculated Property
Cp,gas	560.76	J/mol×K	725.54	Joback Calculated Property
Cp,gas	572.94	J/mol×K	756.70	Joback Calculated Property
Cp,gas	584.51	J/mol×K	787.87	Joback Calculated Property
Cp,gas	595.52	J/mol×K	819.03	Joback Calculated Property
Cp,gas	606.05	J/mol×K	850.20	Joback Calculated Property
Cp,gas	616.16	J/mol×K	881.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadeca-1,3,7,12,14-pentaen-7-ol-9-one.

Sources

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

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