Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl octyl ester

InChI

InChI=1S/C24H36O6/c1-4-5-6-7-8-11-17-29-23(25)18-13-9-10-14-19(18)24(26)30-22-20(27-2)15-12-16-21(22)28-3/h12,15-16,18-19H,4-11,13-14,17H2,1-3H3

InChI Key

JGABBUKGJHSTSK-UHFFFAOYSA-N

Formula

C24H36O6

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

420.54

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.20	kJ/mol	Joback Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	5.319		Crippen Calculated Property
McVol	341.020	ml/mol	McGowan Calculated Property
Pc	1058.95	kPa	Joback Calculated Property
Inp	[3004.00; 3004.00]
Inp	3004.00		NIST
Inp	3004.00		NIST
Tfus	348.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[490.09; 1177.86]	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			1.79170e+01
Coefficient B			1.94556e+00
Coefficient C			-7.93320e-04
Coefficient D			7.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.09	J/mol×K	273.00	Calculated Property
Cp,gas	607.26	J/mol×K	353.78	Calculated Property
Cp,gas	714.19	J/mol×K	434.56	Calculated Property
Cp,gas	810.90	J/mol×K	515.33	Calculated Property
Cp,gas	897.41	J/mol×K	596.11	Calculated Property
Cp,gas	973.75	J/mol×K	676.89	Calculated Property
Cp,gas	1039.94	J/mol×K	757.67	Calculated Property
Cp,gas	1096.00	J/mol×K	838.44	Calculated Property
Cp,gas	1141.97	J/mol×K	919.22	Calculated Property
Cp,gas	1177.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002688; 0.0000318]	Pa×s	[543.96; 826.18]	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			-1.44744e+01
Coefficient B			3.40138e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			543.96
Temperature range, max.			826.18
η	0.0002688	Pa×s	543.96	Calculated Property
η	0.0001912	Pa×s	575.32	Calculated Property
η	0.0001408	Pa×s	606.68	Calculated Property
η	0.0001069	Pa×s	638.03	Calculated Property
η	0.0000833	Pa×s	669.39	Calculated Property
η	0.0000664	Pa×s	700.75	Calculated Property
η	0.0000539	Pa×s	732.11	Calculated Property
η	0.0000445	Pa×s	763.46	Calculated Property
η	0.0000374	Pa×s	794.82	Calculated Property
η	0.0000318	Pa×s	826.18	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl octyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.