Chemical Properties of Ergosta-5,22-dien-3-ol, (3«beta»,22E)- (CAS 474-67-9)

Ergosta-5,22-dien-3-ol, (3«beta»,22E)-

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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/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m1/s1
InChI Key
OILXMJHPFNGGTO-JFPKDKPSSA-N
Formula
C28H46O
SMILES
CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Molecular Weight1
398.66
CAS
474-67-9
Other Names
  • Ergosta-5,22-dien-3«beta»-ol
  • Brassicasterin
  • Brassicasterol
  • «DELTA»5,22-Ergostadien-3«beta»-ol
  • «DELTA»5,22-Ergostadienol
  • ergosta-5,22(E)-dien-3«beta»-ol
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Physical Properties

Property Value Unit Source
Δf 289.68 kJ/mol Joback Calculated Property
Δfgas -395.93 kJ/mol Joback Calculated Property
Δfus 35.49 kJ/mol Joback Calculated Property
Δvap 91.63 kJ/mol Joback Calculated Property
log10WS -8.03 Crippen Calculated Property
logPoct/wat 7.411 Crippen Calculated Property
McVol 359.210 ml/mol McGowan Calculated Property
Pc 1053.46 kPa Joback Calculated Property
Inp [3038.00; 3115.00]   Show Hide
Inp 3063.00 NIST
Inp 3085.00 NIST
Inp 3088.00 NIST
Inp 3047.00 NIST
Inp 3038.00 NIST
Inp 3078.00 NIST
Inp 3055.00 NIST
Inp 3088.00 NIST
Inp 3080.00 NIST
Inp 3063.00 NIST
Inp 3085.00 NIST
Inp 3088.00 NIST
Inp 3044.00 NIST
Inp 3115.00 NIST
Inp 3115.00 NIST
Tboil 973.98 K Joback Calculated Property
Tc 1201.12 K Joback Calculated Property
Tfus 518.58 K Joback Calculated Property
Vc 1.351 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1359.87; 1571.31] J/mol×K [973.98; 1201.12] Show Hide
Cp,gas 1359.87 J/mol×K 973.98 Joback Calculated Property
Cp,gas 1391.77 J/mol×K 1011.84 Joback Calculated Property
Cp,gas 1424.52 J/mol×K 1049.69 Joback Calculated Property
Cp,gas 1458.49 J/mol×K 1087.55 Joback Calculated Property
Cp,gas 1494.04 J/mol×K 1125.41 Joback Calculated Property
Cp,gas 1531.52 J/mol×K 1163.26 Joback Calculated Property
Cp,gas 1571.31 J/mol×K 1201.12 Joback Calculated Property

Similar Compounds

Stigmasterol. Cholesta-5,22-dien-3-ol, (3«beta»)-. (24S )-24-Methyl-26,26-dimethyl-27-norcholesta-5,22-dien-3«beta»-ol. Stigmasta-5,23-dien-3«beta»-ol. «beta»-Sitosterol. (23S)-Ethylcholest-5-en-3-«beta»-ol. «gamma»-Sitosterol. Ergosta-5,24(28)-dien-3-ol, (3«beta»)-. Stigmasta-5,24(28)-dien-3-ol, (3«beta»,24Z)-. Fucosterol. Campesterol. Cholesterol. Cholest-5-en-3-ol, (3«alpha»)-. (22R,24S)-22,24-Dimethylcholesterol. Desmosterol.

Find more compounds similar to Ergosta-5,22-dien-3-ol, (3«beta»,22E)-.

Sources

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