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

InChI

InChI=1S/C27H50O5/c1-4-5-6-7-8-9-10-11-12-15-20-31-26(28)24-16-13-14-17-25(24)27(29)32-22-19-23(2)18-21-30-3/h23-25H,4-22H2,1-3H3

InChI Key

KVDGRLIOUVXURV-UHFFFAOYSA-N

Formula

C27H50O5

SMILES

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

Molecular Weight¹

454.69

• 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°	61.83	kJ/mol	Joback Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	6.863		Crippen Calculated Property
McVol	401.180	ml/mol	McGowan Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	679.58	K	Relay (1.0) Calculated Property
Tfus	295.99	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1441.65; 1524.51]	J/mol×K	[1006.60; 1236.22]
Cp,gas	1441.65	J/mol×K	1006.60	Joback Calculated Property
Cp,gas	1460.93	J/mol×K	1044.87	Joback Calculated Property
Cp,gas	1477.97	J/mol×K	1083.14	Joback Calculated Property
Cp,gas	1492.81	J/mol×K	1121.41	Joback Calculated Property
Cp,gas	1505.49	J/mol×K	1159.68	Joback Calculated Property
Cp,gas	1516.05	J/mol×K	1197.95	Joback Calculated Property
Cp,gas	1524.51	J/mol×K	1236.22	Joback Calculated Property
η	[0.0000170; 0.0003430]	Pa×s	[548.74; 1006.60]
η	0.0003430	Pa×s	548.74	Joback Calculated Property
η	0.0001531	Pa×s	625.05	Joback Calculated Property
η	0.0000814	Pa×s	701.36	Joback Calculated Property
η	0.0000490	Pa×s	777.67	Joback Calculated Property
η	0.0000323	Pa×s	853.98	Joback Calculated Property
η	0.0000228	Pa×s	930.29	Joback Calculated Property
η	0.0000170	Pa×s	1006.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 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.