Chemical Properties of Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo- (CAS 93647-07-5)

Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo-

InChI
InChI=1S/C13H18O5/c1-7(14)8(4-11(17)18)12-9(15)5-13(2,3)6-10(12)16/h8,15H,4-6H2,1-3H3,(H,17,18)
InChI Key
JSHYQFFZRQCDTK-UHFFFAOYSA-N
Formula
C13H18O5
SMILES
CC(=O)C(CC(=O)O)C1=C(O)CC(C)(C)CC1=O
Molecular Weight1
254.28
CAS
93647-07-5
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Physical Properties

Property Value Unit Source
ΔfusH° 27.22 kJ/mol Joback Calculated Property
logPoct/wat 1.867 Crippen Calculated Property
McVol 195.320 ml/mol McGowan Calculated Property
Inp [2040.00; 2040.00]   Show Hide
Inp 2040.00 NIST
Inp 2040.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [270.94; 663.17] 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-3.61490e+01
Coefficient B1.37226e+00
Coefficient C-9.93700e-04
Coefficient D3.20760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 270.94 J/mol×K 273.00 Calculated Property
Cp,gas 339.16 J/mol×K 353.78 Calculated Property
Cp,gas 398.85 J/mol×K 434.56 Calculated Property
Cp,gas 451.02 J/mol×K 515.33 Calculated Property
Cp,gas 496.71 J/mol×K 596.11 Calculated Property
Cp,gas 536.91 J/mol×K 676.89 Calculated Property
Cp,gas 572.64 J/mol×K 757.67 Calculated Property
Cp,gas 604.92 J/mol×K 838.44 Calculated Property
Cp,gas 634.76 J/mol×K 919.22 Calculated Property
Cp,gas 663.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

GA3-13-O-glucoside, permethylated. GA7-3.beta.-O-glucoside, permethylated. GA3-3.beta.-O-glucoside, permethylated. Dimetindene M (nor, OH), acetylated. Cyclohexanepropionic acid, 4,4-dimethyl-2,6-dioxo-. Dimetindene M (nor), acetylated. 1«beta»-Acetoxyfuranoeudesm-4(15)-ene. [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. Acetyldihydrocodeine. N-Desmethylmirtazapine. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. azadirachtin. norbormide. Zinc octaethylporphyrin chloride. Hydromorphone.

Find more compounds similar to Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo-.

Sources

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