Chemical Properties of Glutaric acid, 3-chlorophenyl 2-ethylbutyl ester

InChI

InChI=1S/C17H23ClO4/c1-3-13(4-2)12-21-16(19)9-6-10-17(20)22-15-8-5-7-14(18)11-15/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3

InChI Key

HALDCCLQIKQUCL-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

CCC(CC)COC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

326.81

• 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).
• IE : Ionization energy (eV).
• 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°	42.85	kJ/mol	Joback Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.395		Crippen Calculated Property
McVol	253.750	ml/mol	McGowan Calculated Property
Inp	[2289.00; 2289.00]
Inp	2289.00		NIST
Inp	2289.00		NIST
Tboil	630.40	K	Relay (1.0) Calculated Property
Tfus	259.96	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 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	[721.34; 793.87]	J/mol×K	[773.65; 976.41]
Cp,gas	721.34	J/mol×K	773.65	Joback Calculated Property
Cp,gas	736.17	J/mol×K	807.44	Joback Calculated Property
Cp,gas	749.87	J/mol×K	841.24	Joback Calculated Property
Cp,gas	762.48	J/mol×K	875.03	Joback Calculated Property
Cp,gas	774.00	J/mol×K	908.82	Joback Calculated Property
Cp,gas	784.45	J/mol×K	942.61	Joback Calculated Property
Cp,gas	793.87	J/mol×K	976.41	Joback Calculated Property
η	[0.0000521; 0.0012020]	Pa×s	[419.87; 773.65]
η	0.0012020	Pa×s	419.87	Joback Calculated Property
η	0.0005162	Pa×s	478.83	Joback Calculated Property
η	0.0002668	Pa×s	537.80	Joback Calculated Property
η	0.0001571	Pa×s	596.76	Joback Calculated Property
η	0.0001018	Pa×s	655.72	Joback Calculated Property
η	0.0000708	Pa×s	714.69	Joback Calculated Property
η	0.0000521	Pa×s	773.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2-ethylbutyl 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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