Chemical Properties of Testosterone, 3-HFB, 17«beta»-PFB

Testosterone, 3-HFB, 17«beta»-PFB

InChI
InChI=1S/C30H26F12O4/c1-26-9-7-13(45-25(44)28(36,37)29(38,39)30(40,41)42)11-12(26)3-4-14-15-5-6-17(27(15,2)10-8-16(14)26)46-24(43)18-19(31)21(33)23(35)22(34)20(18)32/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,26-,27-/m1/s1
InChI Key
VQRFVWKMQHJHEY-RIUZPASXSA-N
Formula
C30H26F12O4
SMILES
CC12CC=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C1CCC1C2CCC2(C)C(OC(=O)c3c(F)c(F)c(F)c(F)c3F)CCC12
Molecular Weight1
678.51
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Physical Properties

Property Value Unit Source
ΔfusH° 62.26 kJ/mol Joback Calculated Property
log10WS -10.47 Relay (1.0) Calculated Property
logPoct/wat 8.740 Crippen Calculated Property
McVol 393.880 ml/mol McGowan Calculated Property
Inp [3020.00; 3020.00]   Show Hide
Inp 3020.00 NIST
Inp 3020.00 NIST
Tfus 389.09 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 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 [594.67; 1425.94] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.06820e+02
Coefficient B3.74224e+00
Coefficient C-3.27088e-03
Coefficient D1.16140e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 594.67 J/mol×K 273.00 Calculated Property
Cp,gas 759.15 J/mol×K 353.78 Calculated Property
Cp,gas 897.03 J/mol×K 434.56 Calculated Property
Cp,gas 1011.98 J/mol×K 515.33 Calculated Property
Cp,gas 1107.68 J/mol×K 596.11 Calculated Property
Cp,gas 1187.81 J/mol×K 676.89 Calculated Property
Cp,gas 1256.02 J/mol×K 757.67 Calculated Property
Cp,gas 1316.00 J/mol×K 838.44 Calculated Property
Cp,gas 1371.41 J/mol×K 919.22 Calculated Property
Cp,gas 1425.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

(1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. RESCINNAMINE. Dehydrojaconine. Strychnine. ERGOCRYPTINE. 3-propionyl-morphine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). 3-O,6-O,N-Triacetylnormorphine. Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Neopine. Brucine. Ergocristine. Deserpidine.

Find more compounds similar to Testosterone, 3-HFB, 17«beta»-PFB.

Sources

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