Chemical Properties of 7,25-Sigmastadienol acetate

InChI

InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,21,23-25,27-29H,2,8-11,13-19H2,1,3-7H3/t21-,23?,24?,25-,27?,28?,29?,30-,31+/m0/s1

InChI Key

GIHLUTANCCGVLN-WALPSTMRSA-N

Formula

C31H50O2

SMILES

C=C(C)C(CC)CC[C@H](C)C1CCC2C3=CCC4C[C@@H](OC(C)=O)CC[C@]4(C)C3CC[C@@]21C

Molecular Weight¹

454.74

• 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_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.27	kJ/mol	Joback Calculated Property
logPoct/wat	8.516		Crippen Calculated Property
McVol	403.050	ml/mol	McGowan Calculated Property
Inp	[3391.00; 3391.00]
Inp	3391.00		NIST
Inp	3391.00		NIST
Tfus	367.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[545.95; 1527.19]	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			-2.92587e+02
Coefficient B			3.83022e+00
Coefficient C			-3.06764e-03
Coefficient D			1.05720e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.95	J/mol×K	273.00	Calculated Property
Cp,gas	725.33	J/mol×K	353.78	Calculated Property
Cp,gas	879.32	J/mol×K	434.56	Calculated Property
Cp,gas	1011.27	J/mol×K	515.33	Calculated Property
Cp,gas	1124.51	J/mol×K	596.11	Calculated Property
Cp,gas	1222.40	J/mol×K	676.89	Calculated Property
Cp,gas	1308.26	J/mol×K	757.67	Calculated Property
Cp,gas	1385.45	J/mol×K	838.44	Calculated Property
Cp,gas	1457.32	J/mol×K	919.22	Calculated Property
Cp,gas	1527.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7,25-Sigmastadienol acetate.

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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