Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-isopropylphenyl ester

InChI

InChI=1S/C16H20Cl2O4/c1-11(2)12-6-3-4-7-13(12)22-16(20)9-5-8-15(19)21-10-14(17)18/h3-4,6-7,11,14H,5,8-10H2,1-2H3

InChI Key

UAOBRRMQORHYBP-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

347.23

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.93	kJ/mol	Joback Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	4.233		Crippen Calculated Property
McVol	251.900	ml/mol	McGowan Calculated Property
Inp	[2296.00; 2296.00]
Inp	2296.00		NIST
Inp	2296.00		NIST
Tfus	321.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[692.41; 756.77]	J/mol×K	[787.76; 998.66]
Cp,gas	692.41	J/mol×K	787.76	Joback Calculated Property
Cp,gas	705.94	J/mol×K	822.91	Joback Calculated Property
Cp,gas	718.31	J/mol×K	858.06	Joback Calculated Property
Cp,gas	729.56	J/mol×K	893.21	Joback Calculated Property
Cp,gas	739.71	J/mol×K	928.36	Joback Calculated Property
Cp,gas	748.77	J/mol×K	963.51	Joback Calculated Property
Cp,gas	756.77	J/mol×K	998.66	Joback Calculated Property
η	[0.0000476; 0.0012559]	Pa×s	[423.52; 787.76]
η	0.0012559	Pa×s	423.52	Joback Calculated Property
η	0.0005172	Pa×s	484.23	Joback Calculated Property
η	0.0002596	Pa×s	544.93	Joback Calculated Property
η	0.0001496	Pa×s	605.64	Joback Calculated Property
η	0.0000953	Pa×s	666.35	Joback Calculated Property
η	0.0000655	Pa×s	727.05	Joback Calculated Property
η	0.0000476	Pa×s	787.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-isopropylphenyl 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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