Chemical Properties of 5«alpha»-Androstane-3«alpha»,17«beta»-diol, bis(trifluoroacetate)

InChI

InChI=1S/C23H30F6O4/c1-20-9-7-13(32-18(30)22(24,25)26)11-12(20)3-4-14-15-5-6-17(33-19(31)23(27,28)29)21(15,2)10-8-16(14)20/h12-17H,3-11H2,1-2H3

InChI Key

NXQFDYRIAIABNB-UHFFFAOYSA-N

Formula

C23H30F6O4

SMILES

CC12CCC(OC(=O)C(F)(F)F)CC1CCC1C2CCC2(C)C(OC(=O)C(F)(F)F)CCC12

Molecular Weight¹

484.47

• 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°	38.28	kJ/mol	Joback Calculated Property
logPoct/wat	5.977		Crippen Calculated Property
McVol	316.990	ml/mol	McGowan Calculated Property
Inp	[2310.60; 2310.60]
Inp	2310.60		NIST
Inp	2310.60		NIST
Tfus	388.12	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1166.32; 1315.58]	J/mol×K	[897.49; 1110.56]
Cp,gas	1166.32	J/mol×K	897.49	Joback Calculated Property
Cp,gas	1190.15	J/mol×K	933.00	Joback Calculated Property
Cp,gas	1214.03	J/mol×K	968.51	Joback Calculated Property
Cp,gas	1238.23	J/mol×K	1004.03	Joback Calculated Property
Cp,gas	1263.04	J/mol×K	1039.54	Joback Calculated Property
Cp,gas	1288.73	J/mol×K	1075.05	Joback Calculated Property
Cp,gas	1315.58	J/mol×K	1110.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«alpha»-Androstane-3«alpha»,17«beta»-diol, bis(trifluoroacetate).

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.