Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C15H26Cl2O4/c1-11(8-15(2,3)4)9-20-13(18)6-5-7-14(19)21-10-12(16)17/h11-12H,5-10H2,1-4H3

InChI Key

KDNOGOZBFVCVAO-UHFFFAOYSA-N

Formula

C15H26Cl2O4

SMILES

CC(COC(=O)CCCC(=O)OCC(Cl)Cl)CC(C)(C)C

Molecular Weight¹

341.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1056.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.28	kJ/mol	Joback Calculated Property
ΔvapH°	84.85	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.119		Crippen Calculated Property
McVol	261.570	ml/mol	McGowan Calculated Property
Inp	[2033.00; 2033.00]
Inp	2033.00		NIST
Inp	2033.00		NIST
Tboil	600.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[728.66; 806.06]	J/mol×K	[729.99; 921.16]
Cp,gas	728.66	J/mol×K	729.99	Joback Calculated Property
Cp,gas	743.99	J/mol×K	761.85	Joback Calculated Property
Cp,gas	758.31	J/mol×K	793.71	Joback Calculated Property
Cp,gas	771.66	J/mol×K	825.57	Joback Calculated Property
Cp,gas	784.04	J/mol×K	857.44	Joback Calculated Property
Cp,gas	795.50	J/mol×K	889.30	Joback Calculated Property
Cp,gas	806.06	J/mol×K	921.16	Joback Calculated Property
η	[0.0000459; 0.0027255]	Pa×s	[375.73; 729.99]
η	0.0027255	Pa×s	375.73	Joback Calculated Property
η	0.0008695	Pa×s	434.77	Joback Calculated Property
η	0.0003645	Pa×s	493.82	Joback Calculated Property
η	0.0001840	Pa×s	552.86	Joback Calculated Property
η	0.0001060	Pa×s	611.90	Joback Calculated Property
η	0.0000673	Pa×s	670.95	Joback Calculated Property
η	0.0000459	Pa×s	729.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl 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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