Chemical Properties of 2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (Olivetonic acid)

2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (Olivetonic acid)

InChI
InChI=1S/C14H18O5/c1-2-3-4-5-10(15)6-9-7-11(16)8-12(17)13(9)14(18)19/h7-8,16-17H,2-6H2,1H3,(H,18,19)
InChI Key
DHTUEPZEWVIXGJ-UHFFFAOYSA-N
Formula
C14H18O5
SMILES
CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)O
Molecular Weight1
266.29
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Physical Properties

Property Value Unit Source
ΔfH°gas -898.25 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.98 kJ/mol Joback Calculated Property
ΔvapH° 122.90 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.488 Crippen Calculated Property
McVol 205.110 ml/mol McGowan Calculated Property
Inp [2337.00; 2337.00]   Show Hide
Inp 2337.00 NIST
Inp 2337.00 NIST
Tboil 618.87 K Relay (1.0) Calculated Property
Tc 918.04 K Relay (1.0) Calculated Property
Tfus 437.19 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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 [296.09; 664.67] 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-3.53250e+01
Coefficient B1.52742e+00
Coefficient C-1.26858e-03
Coefficient D4.41160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 296.09 J/mol×K 273.00 Calculated Property
Cp,gas 365.80 J/mol×K 353.78 Calculated Property
Cp,gas 425.07 J/mol×K 434.56 Calculated Property
Cp,gas 475.29 J/mol×K 515.33 Calculated Property
Cp,gas 517.85 J/mol×K 596.11 Calculated Property
Cp,gas 554.15 J/mol×K 676.89 Calculated Property
Cp,gas 585.59 J/mol×K 757.67 Calculated Property
Cp,gas 613.56 J/mol×K 838.44 Calculated Property
Cp,gas 639.46 J/mol×K 919.22 Calculated Property
Cp,gas 664.67 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000022; 0.0000008] Pa×s [720.45; 799.65] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-2.36434e+01
Coefficient B7.65153e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.720.45
Temperature range, max.799.65
η 0.0000022 Pa×s 720.45 Calculated Property
η 0.0000019 Pa×s 729.25 Calculated Property
η 0.0000017 Pa×s 738.05 Calculated Property
η 0.0000015 Pa×s 746.85 Calculated Property
η 0.0000013 Pa×s 755.65 Calculated Property
η 0.0000012 Pa×s 764.45 Calculated Property
η 0.0000011 Pa×s 773.25 Calculated Property
η 0.0000010 Pa×s 782.05 Calculated Property
η 0.0000009 Pa×s 790.85 Calculated Property
η 0.0000008 Pa×s 799.65 Calculated Property

Similar Compounds

cannabidiolic acid, n-butyl-boronate. Sceleratine. Jacoline. Desoxyaxillarine. Metopon. cannabidiolic acid, methyl-boronate. risperidone. Mucronatinine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Pumiline A. Quinine, trimethylsilyl ether. xanthosine-5'-monophosphate, TMS. ethyl eburnamenine-14-carboxylate. Tazettine. Axillarine.

Find more compounds similar to 2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (Olivetonic acid).

Sources

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