Chemical Properties of Ergosta-5,7-dien-3-ol, (3«beta»)- (CAS 516-79-0)

Ergosta-5,7-dien-3-ol, (3«beta»)-

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/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m1/s1
InChI Key
ZKQRGSXITBHHPC-YWSITSQTSA-N
Formula
C28H46O
SMILES
CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C
Molecular Weight1
398.66
CAS
516-79-0
Other Names
  • Ergosta-5,7-dien-3«beta»-ol
  • «delta»5,7-Ergostadienol
  • Dihydroergosterol
  • Provitamin D4
  • 22,23-Dihydroergosterol
  • «DELTA»5,7-Ergostadien-3«beta»-ol
  • 24S-Methylcholesta-5,7-dien-3«beta»-ol
  • 5,7-Ergostadienol
  • 24-Methylcholesta-5,7-dien-3-«beta»-ol
  • 5,7-Ergostadien-3«beta»-ol
  • 22,23-dihydroergosterol, non-irradiated
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 35.05 kJ/mol Joback Calculated Property
ΔvapH° 145.05 kJ/mol Relay (1.0) Calculated Property
log10WS -7.03 Relay (1.0) Calculated Property
logPoct/wat 7.555 Crippen Calculated Property
McVol 359.210 ml/mol McGowan Calculated Property
Inp 3175.00 NIST
Tboil 685.75 K Relay (1.0) Calculated Property
Tfus 400.17 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [481.62; 1371.30] 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-2.92838e+02
Coefficient B3.57102e+00
Coefficient C-2.98308e-03
Coefficient D1.07620e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 481.62 J/mol×K 273.00 Calculated Property
Cp,gas 644.80 J/mol×K 353.78 Calculated Property
Cp,gas 783.96 J/mol×K 434.56 Calculated Property
Cp,gas 902.50 J/mol×K 515.33 Calculated Property
Cp,gas 1003.82 J/mol×K 596.11 Calculated Property
Cp,gas 1091.33 J/mol×K 676.89 Calculated Property
Cp,gas 1168.43 J/mol×K 757.67 Calculated Property
Cp,gas 1238.52 J/mol×K 838.44 Calculated Property
Cp,gas 1305.01 J/mol×K 919.22 Calculated Property
Cp,gas 1371.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

24-Ethylcholesta-5,7-dien-3-«beta»-ol. Cholesta-5,7-dien-3-ol, (3«beta»)-. 24-Ethylcholesta-5,7,22-trien-3-«beta»-ol. 9-«alpha»-H,10-«beta»-Methyl ergosterol. Ergosterol. 17-(1,5-Dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol. 5,7-Pregnadiene-3.beta.,20.alpha.-diol. Dehydroergosterol. Cholecalciferol. Cholesta-5,7-dien-3-ol, acetate, (3«beta»)-. D7-Campesterol acetate. Ergocalciferol. Stigmasta-5,23-dien-3.beta.-ol. Fucosterol. Stigmasta-5,24(28)-dien-3-ol, (3«beta»,24Z)-.

Find more compounds similar to Ergosta-5,7-dien-3-ol, (3«beta»)-.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.