Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, allyl dodecyl ester

InChI

InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-12-15-19-27-23(25)21-17-14-13-16-20(21)22(24)26-18-4-2/h4,20-21H,2-3,5-19H2,1H3

InChI Key

WIGNXGQJIPTUFK-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

C=CCOC(=O)C1CCCCC1C(=O)OCCCCCCCCCCCC

Molecular Weight¹

380.57

• 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).
• Δ_vapH° : Enthalpy of vaporization 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°	55.69	kJ/mol	Joback Calculated Property
ΔvapH°	109.45	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	5.986		Crippen Calculated Property
McVol	334.650	ml/mol	McGowan Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	661.41	K	Relay (1.0) Calculated Property
Tfus	296.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[1109.33; 1204.72]	J/mol×K	[853.84; 1049.48]
Cp,gas	1109.33	J/mol×K	853.84	Joback Calculated Property
Cp,gas	1128.82	J/mol×K	886.45	Joback Calculated Property
Cp,gas	1146.84	J/mol×K	919.05	Joback Calculated Property
Cp,gas	1163.40	J/mol×K	951.66	Joback Calculated Property
Cp,gas	1178.55	J/mol×K	984.27	Joback Calculated Property
Cp,gas	1192.31	J/mol×K	1016.88	Joback Calculated Property
Cp,gas	1204.72	J/mol×K	1049.48	Joback Calculated Property
η	[0.0000380; 0.0012066]	Pa×s	[435.01; 853.84]
η	0.0012066	Pa×s	435.01	Joback Calculated Property
η	0.0004552	Pa×s	504.82	Joback Calculated Property
η	0.0002176	Pa×s	574.62	Joback Calculated Property
η	0.0001220	Pa×s	644.42	Joback Calculated Property
η	0.0000767	Pa×s	714.23	Joback Calculated Property
η	0.0000523	Pa×s	784.03	Joback Calculated Property
η	0.0000380	Pa×s	853.84	Joback Calculated Property

Similar Compounds

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