Chemical Properties of Etoposide (148-167,25mg/ml)

InChI

InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3

InChI Key

VJJPUSNTGOMMGY-UHFFFAOYSA-N

Formula

C29H32O13

SMILES

COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O

Molecular Weight¹

588.56

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	108.52	kJ/mol	Joback Calculated Property
log10WS	[-3.57; -3.57]
log10WS	-3.57		Aq. Solubility Prediction
log10WS	-3.57		Estimated Solubility
logPoct/wat	1.339		Crippen Calculated Property
McVol	389.660	ml/mol	McGowan Calculated Property
Tfus	516.65	K	Aq. Solubility Prediction

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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1599.15; 1758.35]	J/mol×K	[1489.75; 1898.08]
Cp,gas	1599.15	J/mol×K	1489.75	Joback Calculated Property
Cp,gas	1619.64	J/mol×K	1557.80	Joback Calculated Property
Cp,gas	1641.50	J/mol×K	1625.86	Joback Calculated Property
Cp,gas	1665.52	J/mol×K	1693.91	Joback Calculated Property
Cp,gas	1692.48	J/mol×K	1761.97	Joback Calculated Property
Cp,gas	1723.16	J/mol×K	1830.02	Joback Calculated Property
Cp,gas	1758.35	J/mol×K	1898.08	Joback Calculated Property
η	[0.0000004; 0.0000032]	Pa×s	[1065.20; 1489.75]
η	0.0000032	Pa×s	1065.20	Joback Calculated Property
η	0.0000021	Pa×s	1135.96	Joback Calculated Property
η	0.0000014	Pa×s	1206.72	Joback Calculated Property
η	0.0000010	Pa×s	1277.47	Joback Calculated Property
η	0.0000007	Pa×s	1348.23	Joback Calculated Property
η	0.0000006	Pa×s	1418.99	Joback Calculated Property
η	0.0000004	Pa×s	1489.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Etoposide (148-167,25mg/ml).

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
• Estimated Solubility Method
• McGowan Method

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.
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