Chemical Properties of Cycloundecanecarboxylic acid (CAS 831-67-4)

InChI

InChI=1S/C12H22O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h11H,1-10H2,(H,13,14)

InChI Key

BHECNPOVJVTHKS-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

O=C(O)C1CCCCCCCCCC1

Molecular Weight¹

198.30

CAS

831-67-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[211.09; 643.17]	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			-9.46300e+01
Coefficient B			1.26870e+00
Coefficient C			-5.50600e-04
Coefficient D			1.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.09	J/mol×K	273.00	Calculated Property
Cp,gas	286.17	J/mol×K	353.78	Calculated Property
Cp,gas	354.33	J/mol×K	434.56	Calculated Property
Cp,gas	415.65	J/mol×K	515.33	Calculated Property
Cp,gas	470.17	J/mol×K	596.11	Calculated Property
Cp,gas	517.98	J/mol×K	676.89	Calculated Property
Cp,gas	559.11	J/mol×K	757.67	Calculated Property
Cp,gas	593.65	J/mol×K	838.44	Calculated Property
Cp,gas	621.65	J/mol×K	919.22	Calculated Property
Cp,gas	643.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021110; 0.0000535]	Pa×s	[375.38; 631.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52192e+01
Coefficient B			3.40042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			375.38
Temperature range, max.			631.69
η	0.0021110	Pa×s	375.38	Calculated Property
η	0.0011145	Pa×s	403.86	Calculated Property
η	0.0006400	Pa×s	432.34	Calculated Property
η	0.0003937	Pa×s	460.82	Calculated Property
η	0.0002562	Pa×s	489.29	Calculated Property
η	0.0001748	Pa×s	517.77	Calculated Property
η	0.0001241	Pa×s	546.25	Calculated Property
η	0.0000912	Pa×s	574.73	Calculated Property
η	0.0000690	Pa×s	603.21	Calculated Property
η	0.0000535	Pa×s	631.69	Calculated Property

Similar Compounds

Find more compounds similar to Cycloundecanecarboxylic 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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