Chemical Properties of Oxo-agarospirol

InChI

InChI=1S/C15H24O2/c1-11-5-4-6-13(10-16)15(11)8-7-12(9-15)14(2,3)17/h6,10-12,17H,4-5,7-9H2,1-3H3/t11-,12?,15-/m1/s1

InChI Key

OKBGEROEGQDLFK-KKXIITGPSA-N

Formula

C15H24O2

SMILES

CC1CCC=C(C=O)C12CCC(C(C)(C)O)C2

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°	-77.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.32	kJ/mol	Joback Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	71.09	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	3.099		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	2311.39	kPa	Joback Calculated Property
Inp	[1822.00; 1823.00]
Inp	1822.00		NIST
Inp	1823.00		NIST
Inp	1822.00		NIST
Tboil	710.48	K	Joback Calculated Property
Tc	924.83	K	Joback Calculated Property
Tfus	418.79	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.32; 718.85]	J/mol×K	[710.48; 924.83]
Cp,gas	621.32	J/mol×K	710.48	Joback Calculated Property
Cp,gas	639.30	J/mol×K	746.20	Joback Calculated Property
Cp,gas	656.38	J/mol×K	781.93	Joback Calculated Property
Cp,gas	672.72	J/mol×K	817.65	Joback Calculated Property
Cp,gas	688.47	J/mol×K	853.38	Joback Calculated Property
Cp,gas	703.80	J/mol×K	889.10	Joback Calculated Property
Cp,gas	718.85	J/mol×K	924.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxo-agarospirol.

Sources

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

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