Chemical Properties of Glutaric acid, isobutyl 2,3,5,6-tetrachlorophenyl ester

InChI

InChI=1S/C15H16Cl4O4/c1-8(2)7-22-11(20)4-3-5-12(21)23-15-13(18)9(16)6-10(17)14(15)19/h6,8H,3-5,7H2,1-2H3

InChI Key

DCZJKKXXRFMGME-UHFFFAOYSA-N

Formula

C15H16Cl4O4

SMILES

CC(C)COC(=O)CCCC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

402.10

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-815.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.09	kJ/mol	Joback Calculated Property
ΔvapH°	101.16	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.575		Crippen Calculated Property
McVol	262.290	ml/mol	McGowan Calculated Property
Pc	1578.46	kPa	Joback Calculated Property
Inp	[2587.00; 2587.00]
Inp	2587.00		NIST
Inp	2587.00		NIST
Tboil	631.18	K	Relay (1.0) Calculated Property
Tc	884.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[678.07; 723.28]	J/mol×K	[855.12; 1074.33]
Cp,gas	678.07	J/mol×K	855.12	Joback Calculated Property
Cp,gas	688.34	J/mol×K	891.66	Joback Calculated Property
Cp,gas	697.51	J/mol×K	928.19	Joback Calculated Property
Cp,gas	705.58	J/mol×K	964.73	Joback Calculated Property
Cp,gas	712.57	J/mol×K	1001.26	Joback Calculated Property
Cp,gas	718.46	J/mol×K	1037.80	Joback Calculated Property
Cp,gas	723.28	J/mol×K	1074.33	Joback Calculated Property
η	[0.0000449; 0.0004257]	Pa×s	[524.65; 855.12]
η	0.0004257	Pa×s	524.65	Joback Calculated Property
η	0.0002449	Pa×s	579.73	Joback Calculated Property
η	0.0001551	Pa×s	634.81	Joback Calculated Property
η	0.0001056	Pa×s	689.88	Joback Calculated Property
η	0.0000761	Pa×s	744.96	Joback Calculated Property
η	0.0000574	Pa×s	800.04	Joback Calculated Property
η	0.0000449	Pa×s	855.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.