Chemical Properties of 4,22-Stigmastadiene-3-one (CAS 20817-72-5)

4,22-Stigmastadiene-3-one

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InChI
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21+,24+,25-,26+,27+,28+,29-/m0/s1
InChI Key
MKGZDUKUQPPHFM-OZCVYSMVSA-N
Formula
C29H46O
SMILES
CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C
Molecular Weight1
410.67
CAS
20817-72-5
Other Names
  • (22E)-Stigmasta-4,22-dien-3-one
  • Stigmasta-4,22-dien-3-one
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Physical Properties

Property Value Unit Source
Δf 320.04 kJ/mol Joback Calculated Property
Δfgas -381.70 kJ/mol Joback Calculated Property
Δfus 32.43 kJ/mol Joback Calculated Property
Δvap 81.73 kJ/mol Joback Calculated Property
log10WS -8.35 Crippen Calculated Property
logPoct/wat 8.009 Crippen Calculated Property
McVol 369.000 ml/mol McGowan Calculated Property
Pc 975.95 kPa Joback Calculated Property
Inp [3399.00; 3399.00]   Show Hide
Inp 3399.00 NIST
Inp 3399.00 NIST
Tboil 977.17 K Joback Calculated Property
Tc 1216.33 K Joback Calculated Property
Tfus 541.49 K Joback Calculated Property
Vc 1.397 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1387.87; 1608.74] J/mol×K [977.17; 1216.33] Show Hide
Cp,gas 1387.87 J/mol×K 977.17 Joback Calculated Property
Cp,gas 1421.58 J/mol×K 1017.03 Joback Calculated Property
Cp,gas 1456.00 J/mol×K 1056.89 Joback Calculated Property
Cp,gas 1491.54 J/mol×K 1096.75 Joback Calculated Property
Cp,gas 1528.58 J/mol×K 1136.61 Joback Calculated Property
Cp,gas 1567.52 J/mol×K 1176.47 Joback Calculated Property
Cp,gas 1608.74 J/mol×K 1216.33 Joback Calculated Property

Similar Compounds

Ergosta-4,22-dien-3-one. Stigmast-4-en-3-one. 4-Pregnen-3-one. «gamma»-Sitostenone. Cholest-4-en-3-one. 4-Campestene-3-one. (-)-nootkatone. Nootkatone. 3-Oxoandrost-4-ene-17B-carboxaldehyde. Progesterone. Androsta-4-ene-3,17-dione, 1alpha-deuterio-. Androstenedione. Solavetivone. Cholest-5-en-3-one. 5-Ergosten-3-one.

Find more compounds similar to 4,22-Stigmastadiene-3-one.

Sources

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