Chemical Properties of Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone

Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone

InChI
InChI=1S/C13H18O4/c1-6-8-5-13(2,3)9-4-7(8)10(11(14)16-6)12(15)17-9/h6-10H,4-5H2,1-3H3
InChI Key
FSZHUBKZXLBHGH-UHFFFAOYSA-N
Formula
C13H18O4
SMILES
CC1OC(=O)C2C(=O)OC3CC2C1CC3(C)C
Molecular Weight1
238.28
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Physical Properties

Property Value Unit Source
ΔfusH° 31.58 kJ/mol Joback Calculated Property
logPoct/wat 1.526 Crippen Calculated Property
McVol 176.330 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [513.69; 604.27] J/mol×K [615.66; 821.07] Show Hide
Cp,gas 513.69 J/mol×K 615.66 Joback Calculated Property
Cp,gas 530.99 J/mol×K 649.89 Joback Calculated Property
Cp,gas 547.23 J/mol×K 684.13 Joback Calculated Property
Cp,gas 562.54 J/mol×K 718.36 Joback Calculated Property
Cp,gas 577.06 J/mol×K 752.60 Joback Calculated Property
Cp,gas 590.92 J/mol×K 786.83 Joback Calculated Property
Cp,gas 604.27 J/mol×K 821.07 Joback Calculated Property

Similar Compounds

Norcholic acid, acetate-methyl ester. Homocholic acid, acetate-methyl ester. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-. Butanoic acid, 2-methyl, bornyl ester. isobornyl2-methylbutanoate. Bornyl 2-methylbutanoate. Norursodeoxycholic acid, acetate-methyl ester. Norchenodeoxycholic acid, acetate-methyl ester. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester. 3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone. 1,2-Cyclohexanedicarboxylic acid, butyl 2-methylcyclohexyl ester.

Find more compounds similar to Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone.

Sources

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