Chemical Properties of 9-Hydroxyladanifer-10-one [9(10-->1)-abeo-9-Hydroxyaromadendran-10-one]

InChI

InChI=1S/C15H24O2/c1-8-5-6-15(9(2)16)11(17)7-10-13(12(8)15)14(10,3)4/h8,10-13,17H,5-7H2,1-4H3/t8-,10-,11-,12?,13-,15+/m1/s1

InChI Key

ZHGFRCFUYDAZGE-QMOOCHOPSA-N

Formula

C15H24O2

SMILES

CC(=O)C12CCC(C)C1C1C(CC2O)C1(C)C

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.
• 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
ΔfG°	-61.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.38	kJ/mol	Joback Calculated Property
ΔfusH°	24.29	kJ/mol	Joback Calculated Property
ΔvapH°	68.78	kJ/mol	Joback Calculated Property
log10WS	-2.99		Crippen Calculated Property
logPoct/wat	2.645		Crippen Calculated Property
McVol	197.070	ml/mol	McGowan Calculated Property
Pc	2204.15	kPa	Joback Calculated Property
Inp	[1704.00; 1704.00]
Inp	1704.00		NIST
Inp	1704.00		NIST
I	[2559.00; 2559.00]
I	2559.00		NIST
I	2559.00		NIST
Tboil	694.94	K	Joback Calculated Property
Tc	901.64	K	Joback Calculated Property
Tfus	450.70	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.20; 729.05]	J/mol×K	[694.94; 901.64]
Cp,gas	623.20	J/mol×K	694.94	Joback Calculated Property
Cp,gas	641.58	J/mol×K	729.39	Joback Calculated Property
Cp,gas	659.36	J/mol×K	763.84	Joback Calculated Property
Cp,gas	676.77	J/mol×K	798.29	Joback Calculated Property
Cp,gas	694.04	J/mol×K	832.74	Joback Calculated Property
Cp,gas	711.39	J/mol×K	867.19	Joback Calculated Property
Cp,gas	729.05	J/mol×K	901.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-Hydroxyladanifer-10-one [9(10-->1)-abeo-9-Hydroxyaromadendran-10-one].

Sources

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

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