Chemical Properties of 5-Ergosten-3-one

5-Ergosten-3-one

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InChI
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,23-26H,7-8,10-17H2,1-6H3/t19?,20-,23?,24-,25?,26+,27+,28-/m0/s1
InChI Key
ATIPVUGMJZAJPC-FHKQQBLUSA-N
Formula
C28H46O
SMILES
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C
Molecular Weight1
398.66
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Physical Properties

Property Value Unit Source
Δf 231.40 kJ/mol Joback Calculated Property
Δfgas -478.28 kJ/mol Joback Calculated Property
Δfus 29.64 kJ/mol Joback Calculated Property
Δvap 79.55 kJ/mol Joback Calculated Property
log10WS -8.08 Crippen Calculated Property
logPoct/wat 7.843 Crippen Calculated Property
McVol 359.210 ml/mol McGowan Calculated Property
Pc 1003.35 kPa Joback Calculated Property
Inp [3290.00; 3290.00]   Show Hide
Inp 3290.00 NIST
Inp 3290.00 NIST
Tboil 950.13 K Joback Calculated Property
Tc 1185.11 K Joback Calculated Property
Tfus 535.30 K Joback Calculated Property
Vc 1.361 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1344.94; 1550.44] J/mol×K [950.13; 1185.11] Show Hide
Cp,gas 1344.94 J/mol×K 950.13 Joback Calculated Property
Cp,gas 1377.23 J/mol×K 989.29 Joback Calculated Property
Cp,gas 1409.84 J/mol×K 1028.46 Joback Calculated Property
Cp,gas 1443.11 J/mol×K 1067.62 Joback Calculated Property
Cp,gas 1477.40 J/mol×K 1106.78 Joback Calculated Property
Cp,gas 1513.06 J/mol×K 1145.94 Joback Calculated Property
Cp,gas 1550.44 J/mol×K 1185.11 Joback Calculated Property

Similar Compounds

Cholest-5-en-3-one. Stigmast-4-en-3-one. 4-Pregnen-3-one. «gamma»-Sitostenone. (8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-one. Cholest-4-en-3-one. 4-Campestene-3-one. Ergosta-4,22-dien-3-one. 4,22-Stigmastadiene-3-one. 5«alpha»-Stigmast-7-en-3-one. Cholest-7-en-3-one, (5«alpha»)-. Androst-5-en-4-one. 12,13-bis-nor-6(7->8)abeo-Eremophil-1(10)-en-7-one. Cholest-5-ene. (-)-nootkatone.

Find more compounds similar to 5-Ergosten-3-one.

Sources

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