Chemical Properties of prostaglandin E2

InChI

InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)

InChI Key

XEYBRNLFEZDVAW-UHFFFAOYSA-N

Formula

C20H32O5

SMILES

CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O

Molecular Weight¹

352.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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	[417.73; 1034.39]	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			-4.23320e+01
Coefficient B			1.97892e+00
Coefficient C			-1.14100e-03
Coefficient D			2.38800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.73	J/mol×K	273.00	Calculated Property
Cp,gas	525.53	J/mol×K	353.78	Calculated Property
Cp,gas	621.75	J/mol×K	434.56	Calculated Property
Cp,gas	707.14	J/mol×K	515.33	Calculated Property
Cp,gas	782.46	J/mol×K	596.11	Calculated Property
Cp,gas	848.46	J/mol×K	676.89	Calculated Property
Cp,gas	905.89	J/mol×K	757.67	Calculated Property
Cp,gas	955.52	J/mol×K	838.44	Calculated Property
Cp,gas	998.10	J/mol×K	919.22	Calculated Property
Cp,gas	1034.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to prostaglandin E2.

Sources

• 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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