Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester

InChI

InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-12-15-32-28(30)25-13-10-11-14-26(25)29(31)33-27-23-17-21-16-22(19-23)20-24(27)18-21/h21-27H,2-20H2,1H3

InChI Key

VYMVOHWZEPGDKT-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

460.69

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	66.96	kJ/mol	Joback Calculated Property
logPoct/wat	7.235		Crippen Calculated Property
McVol	390.910	ml/mol	McGowan Calculated Property
Inp	[3407.00; 3407.00]
Inp	3407.00		NIST
Inp	3407.00		NIST

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	[546.81; 1477.73]	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			-1.76290e+02
Coefficient B			3.13492e+00
Coefficient C			-1.89360e-03
Coefficient D			4.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	546.81	J/mol×K	273.00	Calculated Property
Cp,gas	714.05	J/mol×K	353.78	Calculated Property
Cp,gas	862.29	J/mol×K	434.56	Calculated Property
Cp,gas	992.84	J/mol×K	515.33	Calculated Property
Cp,gas	1107.00	J/mol×K	596.11	Calculated Property
Cp,gas	1206.09	J/mol×K	676.89	Calculated Property
Cp,gas	1291.40	J/mol×K	757.67	Calculated Property
Cp,gas	1364.24	J/mol×K	838.44	Calculated Property
Cp,gas	1425.91	J/mol×K	919.22	Calculated Property
Cp,gas	1477.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032925; 0.0009332]	Pa×s	[546.21; 865.28]	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			-9.13526e+00
Coefficient B			1.86757e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			546.21
Temperature range, max.			865.28
η	0.0032925	Pa×s	546.21	Calculated Property
η	0.0026731	Pa×s	581.66	Calculated Property
η	0.0022229	Pa×s	617.11	Calculated Property
η	0.0018859	Pa×s	652.57	Calculated Property
η	0.0016273	Pa×s	688.02	Calculated Property
η	0.0014246	Pa×s	723.47	Calculated Property
η	0.0012628	Pa×s	758.92	Calculated Property
η	0.0011314	Pa×s	794.38	Calculated Property
η	0.0010233	Pa×s	829.83	Calculated Property
η	0.0009332	Pa×s	865.28	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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