Chemical Properties of Dihydroisovaltrate

Dihydroisovaltrate

InChI
InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3
InChI Key
PHHROXLDZHUIGO-UHFFFAOYSA-N
Formula
C22H32O8
SMILES
CC(=O)OC1CC2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C12CO2
Molecular Weight1
424.49
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Physical Properties

Property Value Unit Source
ΔfusH° 61.64 kJ/mol Joback Calculated Property
logPoct/wat 2.742 Crippen Calculated Property
McVol 318.020 ml/mol McGowan Calculated Property
Inp [2545.70; 2545.70]   Show Hide
Inp 2545.70 NIST
Inp 2545.70 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [471.86; 1147.85] 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-8.66070e+01
Coefficient B2.49220e+00
Coefficient C-1.77764e-03
Coefficient D5.19900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 471.86 J/mol×K 273.00 Calculated Property
Cp,gas 595.61 J/mol×K 353.78 Calculated Property
Cp,gas 703.37 J/mol×K 434.56 Calculated Property
Cp,gas 796.77 J/mol×K 515.33 Calculated Property
Cp,gas 877.47 J/mol×K 596.11 Calculated Property
Cp,gas 947.10 J/mol×K 676.89 Calculated Property
Cp,gas 1007.31 J/mol×K 757.67 Calculated Property
Cp,gas 1059.74 J/mol×K 838.44 Calculated Property
Cp,gas 1106.04 J/mol×K 919.22 Calculated Property
Cp,gas 1147.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

Homodihydroisovaltrate. Triamcinolone Acetonide. Nalmefene, bis(trifluoroacetate). [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. azadirachtin. Ethylmorphine, trimethylsilyl ether. HEPTAFLUOROBUTYRYL-CODEINE. Ergocristine. Deserpidine. Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-. Ethylmorphine. DIHYDROERGOKRYPTINE. Galantamin. CODEIN-PROPIONYL.

Find more compounds similar to Dihydroisovaltrate.

Sources

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