Chemical Properties of megastigman-3,9-diol

InChI

InChI=1S/C13H26O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-12,14-15H,5-8H2,1-4H3

InChI Key

YLDOBTZIBQRAPU-UHFFFAOYSA-N

Formula

C13H26O2

SMILES

CC(O)CCC1C(C)CC(O)CC1(C)C

Molecular Weight¹

214.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.83	kJ/mol	Joback Calculated Property
logPoct/wat	2.581		Crippen Calculated Property
McVol	194.910	ml/mol	McGowan Calculated Property
Ip	[2651.00; 2651.00]
Ip	2651.00		NIST
Ip	2651.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.70; 740.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.78080e+01
Coefficient B			1.64728e+00
Coefficient C			-1.19480e-03
Coefficient D			3.85600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.70	J/mol×K	273.00	Calculated Property
Cp,gas	352.50	J/mol×K	353.78	Calculated Property
Cp,gas	424.05	J/mol×K	434.56	Calculated Property
Cp,gas	486.56	J/mol×K	515.33	Calculated Property
Cp,gas	541.26	J/mol×K	596.11	Calculated Property
Cp,gas	589.37	J/mol×K	676.89	Calculated Property
Cp,gas	632.11	J/mol×K	757.67	Calculated Property
Cp,gas	670.69	J/mol×K	838.44	Calculated Property
Cp,gas	706.34	J/mol×K	919.22	Calculated Property
Cp,gas	740.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to megastigman-3,9-diol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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