Chemical Properties of 1,1-Cyclohexane diacetic acid (CAS 9355-11-7)

InChI

InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)

InChI Key

YQPCHPBGAALCRT-UHFFFAOYSA-N

Formula

C10H16O4

SMILES

O=C(O)CC1(CC(=O)O)CCCCC1

Molecular Weight¹

200.23

CAS

9355-11-7

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[202.82; 549.20]	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			-1.12598e+02
Coefficient B			1.46940e+00
Coefficient C			-1.27900e-03
Coefficient D			4.71400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.82	J/mol×K	273.00	Calculated Property
Cp,gas	268.04	J/mol×K	353.78	Calculated Property
Cp,gas	323.10	J/mol×K	434.56	Calculated Property
Cp,gas	369.48	J/mol×K	515.33	Calculated Property
Cp,gas	408.69	J/mol×K	596.11	Calculated Property
Cp,gas	442.21	J/mol×K	676.89	Calculated Property
Cp,gas	471.53	J/mol×K	757.67	Calculated Property
Cp,gas	498.14	J/mol×K	838.44	Calculated Property
Cp,gas	523.53	J/mol×K	919.22	Calculated Property
Cp,gas	549.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Cyclohexane diacetic acid.

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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