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).
• 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).
• 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°	-807.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1802.81	kJ/mol	Joback Calculated Property
ΔfusH°	107.44	kJ/mol	Joback Calculated Property
ΔvapH°	171.80	kJ/mol	Joback Calculated Property
log10WS	[-3.57; -3.57]
log10WS	-3.57		Aq. Sol...
log10WS	-3.57		Estimat...
logPoct/wat	1.339		Crippen Calculated Property
McVol	389.660	ml/mol	McGowan Calculated Property
Pc	1547.57	kPa	Joback Calculated Property
Tboil	1534.64	K	Joback Calculated Property
Tc	1946.74	K	Joback Calculated Property
Tfus	516.65	K	Aq. Sol...
Vc	1.375	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1575.93; 1593.41]	J/mol×K	[1534.64; 1946.74]
Cp,gas	1575.93	J/mol×K	1534.64	Joback Calculated Property
Cp,gas	1580.20	J/mol×K	1603.32	Joback Calculated Property
Cp,gas	1583.19	J/mol×K	1672.01	Joback Calculated Property
Cp,gas	1585.43	J/mol×K	1740.69	Joback Calculated Property
Cp,gas	1587.51	J/mol×K	1809.37	Joback Calculated Property
Cp,gas	1589.99	J/mol×K	1878.06	Joback Calculated Property
Cp,gas	1593.41	J/mol×K	1946.74	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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