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

InChI

InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-11-14-31-27(29)24-12-9-10-13-25(24)28(30)32-26-22-16-20-15-21(18-22)19-23(26)17-20/h20-26H,2-19H2,1H3

InChI Key

KPFYZJMRRSAZQH-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

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

Molecular Weight¹

446.66

• 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°	64.37	kJ/mol	Joback Calculated Property
logPoct/wat	6.845		Crippen Calculated Property
McVol	376.820	ml/mol	McGowan Calculated Property
Inp	[3294.00; 3294.00]
Inp	3294.00		NIST
Inp	3294.00		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	[525.60; 1426.14]	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			-1.75381e+02
Coefficient B			3.03992e+00
Coefficient C			-1.83920e-03
Coefficient D			4.00800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	525.60	J/mol×K	273.00	Calculated Property
Cp,gas	687.63	J/mol×K	353.78	Calculated Property
Cp,gas	831.21	J/mol×K	434.56	Calculated Property
Cp,gas	957.61	J/mol×K	515.33	Calculated Property
Cp,gas	1068.09	J/mol×K	596.11	Calculated Property
Cp,gas	1163.93	J/mol×K	676.89	Calculated Property
Cp,gas	1246.38	J/mol×K	757.67	Calculated Property
Cp,gas	1316.72	J/mol×K	838.44	Calculated Property
Cp,gas	1376.22	J/mol×K	919.22	Calculated Property
Cp,gas	1426.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035104; 0.0010366]	Pa×s	[534.94; 846.35]	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			-8.96718e+00
Coefficient B			1.77341e+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.			534.94
Temperature range, max.			846.35
η	0.0035104	Pa×s	534.94	Calculated Property
η	0.0028701	Pa×s	569.54	Calculated Property
η	0.0024013	Pa×s	604.14	Calculated Property
η	0.0020483	Pa×s	638.74	Calculated Property
η	0.0017759	Pa×s	673.34	Calculated Property
η	0.0015614	Pa×s	707.94	Calculated Property
η	0.0013894	Pa×s	742.54	Calculated Property
η	0.0012492	Pa×s	777.14	Calculated Property
η	0.0011335	Pa×s	811.74	Calculated Property
η	0.0010366	Pa×s	846.35	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl decyl 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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