Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl 8-chlorooctyl ester

InChI

InChI=1S/C20H35ClO4/c1-17(15-20(2,3)4)16-25-19(23)12-11-18(22)24-14-10-8-6-5-7-9-13-21/h11-12,17H,5-10,13-16H2,1-4H3/b12-11+

InChI Key

YCGNJPLNGBLDBL-VAWYXSNFSA-N

Formula

C20H35ClO4

SMILES

CC(COC(=O)C=CC(=O)OCCCCCCCCCl)CC(C)(C)C

Molecular Weight¹

374.94

• 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).
• 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°	49.76	kJ/mol	Joback Calculated Property
logPoct/wat	5.281		Crippen Calculated Property
McVol	315.480	ml/mol	McGowan Calculated Property
Inp	[2541.00; 2541.00]
Inp	2541.00		NIST
Inp	2541.00		NIST
Tboil	620.58	K	Relay (1.0) Calculated Property
Tfus	293.82	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, Log10 of Water solubility in mol/l 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	[961.19; 1047.69]	J/mol×K	[811.56; 1001.72]
Cp,gas	961.19	J/mol×K	811.56	Joback Calculated Property
Cp,gas	978.19	J/mol×K	843.25	Joback Calculated Property
Cp,gas	994.10	J/mol×K	874.95	Joback Calculated Property
Cp,gas	1008.96	J/mol×K	906.64	Joback Calculated Property
Cp,gas	1022.81	J/mol×K	938.34	Joback Calculated Property
Cp,gas	1035.71	J/mol×K	970.03	Joback Calculated Property
Cp,gas	1047.69	J/mol×K	1001.72	Joback Calculated Property
η	[0.0000228; 0.0013217]	Pa×s	[412.08; 811.56]
η	0.0013217	Pa×s	412.08	Joback Calculated Property
η	0.0004196	Pa×s	478.66	Joback Calculated Property
η	0.0001763	Pa×s	545.24	Joback Calculated Property
η	0.0000895	Pa×s	611.82	Joback Calculated Property
η	0.0000519	Pa×s	678.40	Joback Calculated Property
η	0.0000331	Pa×s	744.98	Joback Calculated Property
η	0.0000228	Pa×s	811.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 8-chlorooctyl 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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