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

InChI

InChI=1S/C23H34O6/c1-4-5-6-7-10-16-28-22(24)17-12-8-9-13-18(17)23(25)29-21-19(26-2)14-11-15-20(21)27-3/h11,14-15,17-18H,4-10,12-13,16H2,1-3H3

InChI Key

NSZWUWWAYVQEPQ-UHFFFAOYSA-N

Formula

C23H34O6

SMILES

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

Molecular Weight¹

406.51

• 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°	52.61	kJ/mol	Joback Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	4.929		Crippen Calculated Property
McVol	326.930	ml/mol	McGowan Calculated Property
Pc	1128.35	kPa	Joback Calculated Property
Inp	[2888.00; 2888.00]
Inp	2888.00		NIST
Inp	2888.00		NIST
Tfus	347.55	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	[468.87; 1126.27]	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			1.88260e+01
Coefficient B			1.85056e+00
Coefficient C			-7.38920e-04
Coefficient D			-4.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	468.87	J/mol×K	273.00	Calculated Property
Cp,gas	580.84	J/mol×K	353.78	Calculated Property
Cp,gas	683.12	J/mol×K	434.56	Calculated Property
Cp,gas	775.67	J/mol×K	515.33	Calculated Property
Cp,gas	858.50	J/mol×K	596.11	Calculated Property
Cp,gas	931.59	J/mol×K	676.89	Calculated Property
Cp,gas	994.92	J/mol×K	757.67	Calculated Property
Cp,gas	1048.49	J/mol×K	838.44	Calculated Property
Cp,gas	1092.27	J/mol×K	919.22	Calculated Property
Cp,gas	1126.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003033; 0.0000365]	Pa×s	[532.69; 808.61]	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			-1.43094e+01
Coefficient B			3.30722e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			532.69
Temperature range, max.			808.61
η	0.0003033	Pa×s	532.69	Calculated Property
η	0.0002163	Pa×s	563.35	Calculated Property
η	0.0001598	Pa×s	594.00	Calculated Property
η	0.0001216	Pa×s	624.66	Calculated Property
η	0.0000949	Pa×s	655.32	Calculated Property
η	0.0000757	Pa×s	685.98	Calculated Property
η	0.0000616	Pa×s	716.63	Calculated Property
η	0.0000510	Pa×s	747.29	Calculated Property
η	0.0000428	Pa×s	777.95	Calculated Property
η	0.0000365	Pa×s	808.61	Calculated Property

Similar Compounds

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