Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl nonyl ester

InChI

InChI=1S/C24H44O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h20-22H,4-19H2,1-3H3

InChI Key

DYGUYTBAAFXSKJ-UHFFFAOYSA-N

Formula

C24H44O5

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

412.60

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	57.22	kJ/mol	Joback Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.692		Crippen Calculated Property
McVol	358.910	ml/mol	McGowan Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	659.79	K	Relay (1.0) Calculated Property
Tfus	281.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[526.52; 1284.50]	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			-3.95800e+00
Coefficient B			2.21256e+00
Coefficient C			-1.01040e-03
Coefficient D			8.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	526.52	J/mol×K	273.00	Calculated Property
Cp,gas	656.16	J/mol×K	353.78	Calculated Property
Cp,gas	773.80	J/mol×K	434.56	Calculated Property
Cp,gas	879.73	J/mol×K	515.33	Calculated Property
Cp,gas	974.21	J/mol×K	596.11	Calculated Property
Cp,gas	1057.52	J/mol×K	676.89	Calculated Property
Cp,gas	1129.93	J/mol×K	757.67	Calculated Property
Cp,gas	1191.72	J/mol×K	838.44	Calculated Property
Cp,gas	1243.15	J/mol×K	919.22	Calculated Property
Cp,gas	1284.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008188; 0.0000384]	Pa×s	[455.27; 773.39]	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			-1.45455e+01
Coefficient B			3.38621e+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.			455.27
Temperature range, max.			773.39
η	0.0008188	Pa×s	455.27	Calculated Property
η	0.0004791	Pa×s	490.62	Calculated Property
η	0.0003013	Pa×s	525.96	Calculated Property
η	0.0002009	Pa×s	561.31	Calculated Property
η	0.0001405	Pa×s	596.66	Calculated Property
η	0.0001023	Pa×s	632.00	Calculated Property
η	0.0000770	Pa×s	667.35	Calculated Property
η	0.0000597	Pa×s	702.70	Calculated Property
η	0.0000474	Pa×s	738.04	Calculated Property
η	0.0000384	Pa×s	773.39	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl nonyl 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

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