Chemical Properties of Androstenedione, MO-TMS

InChI

InChI=1S/C21H32N2O2/c1-20-11-9-15(22-24-3)13-14(20)5-6-16-17-7-8-19(23-25-4)21(17,2)12-10-18(16)20/h13,16-18H,5-12H2,1-4H3/t16-,17-,18-,20-,21-/m1/s1

InChI Key

ZZDSWSPDFBFXIQ-ORPNCOOFSA-N

Formula

C21H32N2O2

SMILES

CON=C1C=C2CCC3C(CCC4(C)C(=NOC)CCC34)C2(C)CC1

Molecular Weight¹

344.49

Other Names

• Androst-4-ene-3,17-dione, 3,17-diMO

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-342.30	kJ/mol	Joback Calculated Property
ΔvapH°	74.30	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	4.954		Crippen Calculated Property
McVol	282.110	ml/mol	McGowan Calculated Property
Pc	1274.60	kPa	Joback Calculated Property
Inp	[2600.00; 2690.00]
Inp	2690.00		NIST
Inp	2615.00		NIST
Inp	2600.00		NIST
Inp	2600.00		NIST
Inp	2615.00		NIST
Tboil	931.30	K	Joback Calculated Property
Tc	1179.68	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androstenedione, MO-TMS.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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