Chemical Properties of Clionasterol acetate (CAS 4651-54-1)

Clionasterol acetate

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InChI
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m0/s1
InChI Key
PBWOIPCULUXTNY-ZWFWBUGJSA-N
Formula
C31H52O2
SMILES
CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C
Molecular Weight1
456.74
CAS
4651-54-1
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Physical Properties

Property Value Unit Source
Δf 137.62 kJ/mol Joback Calculated Property
Δfgas -667.64 kJ/mol Joback Calculated Property
Δfus 41.75 kJ/mol Joback Calculated Property
Δvap 90.83 kJ/mol Joback Calculated Property
log10WS -9.03 Crippen Calculated Property
logPoct/wat 8.596 Crippen Calculated Property
McVol 407.350 ml/mol McGowan Calculated Property
Pc 831.94 kPa Joback Calculated Property
Inp 3355.00 NIST
Tboil 1022.57 K Joback Calculated Property
Tc 1255.94 K Joback Calculated Property
Tfus 568.81 K Joback Calculated Property
Vc 1.544 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1576.09; 1806.62] J/mol×K [1022.57; 1255.94] Show Hide
Cp,gas 1576.09 J/mol×K 1022.57 Joback Calculated Property
Cp,gas 1611.24 J/mol×K 1061.47 Joback Calculated Property
Cp,gas 1647.21 J/mol×K 1100.36 Joback Calculated Property
Cp,gas 1684.37 J/mol×K 1139.26 Joback Calculated Property
Cp,gas 1723.09 J/mol×K 1178.15 Joback Calculated Property
Cp,gas 1763.71 J/mol×K 1217.05 Joback Calculated Property
Cp,gas 1806.62 J/mol×K 1255.94 Joback Calculated Property

Similar Compounds

«beta»-Sitosterol acetate. Poriferasterol acetate. 20-Isocholesterol acetate. Ergost-5-en-3-ol, acetate, (3«beta»,24R)-. Cholest-5-en-3-ol (3«beta»)-, acetate. 22-Dihydrobrassicasterol acetate. 5A-Cholesten-3B-ol, acetate. 5,23-Stigmastadienol acetate. Fucosterol acetate. 28-Isofucosterol acetate. Cholest-5-en-3-ol (3«beta»)-, propanoate. 5,24-Stigmastadienol acetate. Cholesta-5,24-dien-3-ol, acetate, (3«beta»)-. Ergosta-5,24-dien-3-ol, acetate, (3«beta»)-. 5,23-Ergostadienol acetate.

Find more compounds similar to Clionasterol acetate.

Sources

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