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

InChI

InChI=1S/C25H46O5/c1-4-5-6-7-8-9-10-13-18-29-24(26)22-14-11-12-15-23(22)25(27)30-20-17-21(2)16-19-28-3/h21-23H,4-20H2,1-3H3

InChI Key

VSCUVLUORPXHOY-UHFFFAOYSA-N

Formula

C25H46O5

SMILES

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

Molecular Weight¹

426.63

• 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°	59.81	kJ/mol	Joback Calculated Property
log10WS	-5.65		Relay (1.0) Calculated Property
logPoct/wat	6.083		Crippen Calculated Property
McVol	373.000	ml/mol	McGowan Calculated Property
Inp	[2861.00; 2861.00]
Inp	2861.00		NIST
Inp	2861.00		NIST
Tboil	666.45	K	Relay (1.0) Calculated Property
Tfus	285.33	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	[547.74; 1336.09]	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			-4.86700e+00
Coefficient B			2.30756e+00
Coefficient C			-1.06480e-03
Coefficient D			9.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.74	J/mol×K	273.00	Calculated Property
Cp,gas	682.58	J/mol×K	353.78	Calculated Property
Cp,gas	804.88	J/mol×K	434.56	Calculated Property
Cp,gas	914.96	J/mol×K	515.33	Calculated Property
Cp,gas	1013.12	J/mol×K	596.11	Calculated Property
Cp,gas	1099.68	J/mol×K	676.89	Calculated Property
Cp,gas	1174.95	J/mol×K	757.67	Calculated Property
Cp,gas	1239.23	J/mol×K	838.44	Calculated Property
Cp,gas	1292.84	J/mol×K	919.22	Calculated Property
Cp,gas	1336.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007094; 0.0000330]	Pa×s	[466.54; 792.64]	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			-1.47111e+01
Coefficient B			3.48037e+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.			466.54
Temperature range, max.			792.64
η	0.0007094	Pa×s	466.54	Calculated Property
η	0.0004144	Pa×s	502.77	Calculated Property
η	0.0002602	Pa×s	539.01	Calculated Property
η	0.0001733	Pa×s	575.24	Calculated Property
η	0.0001211	Pa×s	611.47	Calculated Property
η	0.0000880	Pa×s	647.70	Calculated Property
η	0.0000662	Pa×s	683.94	Calculated Property
η	0.0000513	Pa×s	720.17	Calculated Property
η	0.0000407	Pa×s	756.40	Calculated Property
η	0.0000330	Pa×s	792.64	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, decyl 5-methoxy-3-methylpentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.