Chemical Properties of 5A-Pregnanolone arachidonate

5A-Pregnanolone arachidonate

InChI
InChI=1S/C41H64O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(43)44-34-27-29-40(3)33(31-34)23-24-35-37-26-25-36(32(2)42)41(37,4)30-28-38(35)40/h9-10,12-13,15-16,18-19,33-38H,5-8,11,14,17,20-31H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t33-,34+,35?,36+,37?,38?,40-,41+/m1/s1
InChI Key
UOBMZBMPGJNZCK-IOKQDMLZSA-N
Formula
C41H64O3
SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32)C1
Molecular Weight1
604.95
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Physical Properties

Property Value Unit Source
ΔfusH° 82.45 kJ/mol Joback Calculated Property
logPoct/wat 11.292 Crippen Calculated Property
McVol 536.920 ml/mol McGowan Calculated Property
Inp [4750.00; 4750.00]   Show Hide
Inp 4750.00 NIST
Inp 4750.00 NIST
Tfus 407.51 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [719.47; 1978.50] 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-3.61140e+02
Coefficient B4.92948e+00
Coefficient C-3.92090e-03
Coefficient D1.33106e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 719.47 J/mol×K 273.00 Calculated Property
Cp,gas 951.00 J/mol×K 353.78 Calculated Property
Cp,gas 1149.80 J/mol×K 434.56 Calculated Property
Cp,gas 1320.08 J/mol×K 515.33 Calculated Property
Cp,gas 1466.05 J/mol×K 596.11 Calculated Property
Cp,gas 1591.91 J/mol×K 676.89 Calculated Property
Cp,gas 1701.87 J/mol×K 757.67 Calculated Property
Cp,gas 1800.15 J/mol×K 838.44 Calculated Property
Cp,gas 1890.96 J/mol×K 919.22 Calculated Property
Cp,gas 1978.50 J/mol×K 1000.00 Calculated Property

Similar Compounds

5A-Pregnanolone oleate. Pregnenolone palmitate. 5-Pregnen-3«beta»-ol-20-one, hexanoate. 5-Pregnen-3«beta»-ol-20-one, butyrate. Glutaric acid, 3,4-dimethylcyclohexyl dodec-2-en-1-yl ester. 5A-Pregnanolone myristate. 5A-Pregnanolone palmitate. 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-(2-methylbutanoyloxy)cyclohexane). Menthyl bicyclo[2.2.1]hept-2-en-5-carboxylate. «DELTA»6-Lithocholic acid, acetate-methyl ester. 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-valeroxycyclohexane). 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-butyroxycyclohexane). 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-isovaleroxycyclohexane). Epitestosterone, hexanoate. Epitestosterone, butyrate.

Find more compounds similar to 5A-Pregnanolone arachidonate.

Sources

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