Chemical Properties of 3,6-dihydroxy-megastigm-7-en-9-ol

InChI

InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+

InChI Key

OJGKTHCXUFNMIQ-AATRIKPKSA-N

Formula

C13H24O3

SMILES

CC(O)C=CC1(O)C(C)CC(O)CC1(C)C

Molecular Weight¹

228.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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 : 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
ω	0.7259		Relay (1.0) Calculated Property
ΔfG°	-283.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.82	kJ/mol	Joback Calculated Property
ΔvapH°	111.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	1.472		Crippen Calculated Property
McVol	196.480	ml/mol	McGowan Calculated Property
Pc	2673.54	kPa	Joback Calculated Property
I	[3100.00; 3100.00]
I	3100.00		NIST
I	3100.00		NIST
Tboil	570.70	K	Relay (1.0) Calculated Property
Tc	782.49	K	Relay (1.0) Calculated Property
Tfus	381.81	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.58; 721.51]	J/mol×K	[783.12; 972.86]
Cp,gas	630.58	J/mol×K	783.12	Joback Calculated Property
Cp,gas	645.42	J/mol×K	814.74	Joback Calculated Property
Cp,gas	660.20	J/mol×K	846.37	Joback Calculated Property
Cp,gas	675.06	J/mol×K	877.99	Joback Calculated Property
Cp,gas	690.13	J/mol×K	909.61	Joback Calculated Property
Cp,gas	705.57	J/mol×K	941.23	Joback Calculated Property
Cp,gas	721.51	J/mol×K	972.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,6-dihydroxy-megastigm-7-en-9-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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