Chemical Properties of Cyclohexanemalonic acid, 5-hydroxy-2-(1-hydroxyethyl)-4,4-dimethyl-alpha-[1-(dimethylamino)prop-2-yl]-gamma,delta-dilactone

InChI

InChI=1S/C18H29NO4/c1-11(10-19(5)6)18-13-9-17(4,23-15(18)21)8-7-12(13)16(2,3)22-14(18)20/h11-13H,7-10H2,1-6H3

InChI Key

SSOFRYHMIDPVCV-UHFFFAOYSA-N

Formula

C18H29NO4

SMILES

CC(CN(C)C)C12C(=O)OC3(C)CCC(C1C3)C(C)(C)OC2=O

Molecular Weight¹

323.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.51; 975.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.58729e+02
Coefficient B			3.01912e+00
Coefficient C			-3.07600e-03
Coefficient D			1.29110e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.51	J/mol×K	273.00	Calculated Property
Cp,gas	481.55	J/mol×K	353.78	Calculated Property
Cp,gas	578.33	J/mol×K	434.56	Calculated Property
Cp,gas	656.93	J/mol×K	515.33	Calculated Property
Cp,gas	721.44	J/mol×K	596.11	Calculated Property
Cp,gas	775.94	J/mol×K	676.89	Calculated Property
Cp,gas	824.51	J/mol×K	757.67	Calculated Property
Cp,gas	871.24	J/mol×K	838.44	Calculated Property
Cp,gas	920.20	J/mol×K	919.22	Calculated Property
Cp,gas	975.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanemalonic acid, 5-hydroxy-2-(1-hydroxyethyl)-4,4-dimethyl-alpha-[1-(dimethylamino)prop-2-yl]-gamma,delta-dilactone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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