Chemical Properties of Megastigm-7-en-3,9-diol

InChI

InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,9-12,14-15H,7-8H2,1-4H3/b6-5+

InChI Key

WIYDYJDQKNCJRC-AATRIKPKSA-N

Formula

C13H24O2

SMILES

CC(O)C=CC1C(C)CC(O)CC1(C)C

Molecular Weight¹

212.33

Other Names

• megastigm-7-ene-3,9-diol

• 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 : 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°	-141.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.63	kJ/mol	Joback Calculated Property
ΔfusH°	23.03	kJ/mol	Joback Calculated Property
ΔvapH°	75.81	kJ/mol	Joback Calculated Property
log10WS	-3.04		Crippen Calculated Property
logPoct/wat	2.357		Crippen Calculated Property
McVol	190.610	ml/mol	McGowan Calculated Property
Pc	2331.52	kPa	Joback Calculated Property
I	[2585.00; 2589.00]
I	2589.00		NIST
I	2585.00		NIST
I	2589.00		NIST
I	2585.00		NIST
Tboil	690.70	K	Joback Calculated Property
Tc	878.51	K	Joback Calculated Property
Tfus	356.39	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.30; 659.52]	J/mol×K	[690.70; 878.51]
Cp,gas	572.30	J/mol×K	690.70	Joback Calculated Property
Cp,gas	588.24	J/mol×K	722.00	Joback Calculated Property
Cp,gas	603.51	J/mol×K	753.30	Joback Calculated Property
Cp,gas	618.20	J/mol×K	784.61	Joback Calculated Property
Cp,gas	632.37	J/mol×K	815.91	Joback Calculated Property
Cp,gas	646.12	J/mol×K	847.21	Joback Calculated Property
Cp,gas	659.52	J/mol×K	878.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Megastigm-7-en-3,9-diol.

Sources

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

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