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

InChI

InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-4-2/h4,19-20H,2-3,5-18H2,1H3

InChI Key

VNCZFWBAAZCFMH-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

C=CCOC(=O)C1CCCCC1C(=O)OCCCCCCCCCCC

Molecular Weight¹

366.53

• 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°	53.10	kJ/mol	Joback Calculated Property
ΔvapH°	105.46	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	5.596		Crippen Calculated Property
McVol	320.560	ml/mol	McGowan Calculated Property
Inp	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		NIST
Tboil	654.41	K	Relay (1.0) Calculated Property
Tfus	292.64	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	[1047.46; 1143.22]	J/mol×K	[830.96; 1024.52]
Cp,gas	1047.46	J/mol×K	830.96	Joback Calculated Property
Cp,gas	1066.88	J/mol×K	863.22	Joback Calculated Property
Cp,gas	1084.88	J/mol×K	895.48	Joback Calculated Property
Cp,gas	1101.48	J/mol×K	927.74	Joback Calculated Property
Cp,gas	1116.73	J/mol×K	960.00	Joback Calculated Property
Cp,gas	1130.63	J/mol×K	992.26	Joback Calculated Property
Cp,gas	1143.22	J/mol×K	1024.52	Joback Calculated Property
η	[0.0000440; 0.0013696]	Pa×s	[423.74; 830.96]
η	0.0013696	Pa×s	423.74	Joback Calculated Property
η	0.0005200	Pa×s	491.61	Joback Calculated Property
η	0.0002497	Pa×s	559.48	Joback Calculated Property
η	0.0001405	Pa×s	627.35	Joback Calculated Property
η	0.0000885	Pa×s	695.22	Joback Calculated Property
η	0.0000605	Pa×s	763.09	Joback Calculated Property
η	0.0000440	Pa×s	830.96	Joback Calculated Property

Similar Compounds

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