Chemical Properties of Diglycolic acid, 2,3-dichlorophenyl octyl ester

InChI

InChI=1S/C18H24Cl2O5/c1-2-3-4-5-6-7-11-24-16(21)12-23-13-17(22)25-15-10-8-9-14(19)18(15)20/h8-10H,2-7,11-13H2,1H3

InChI Key

MPCPJOYEFVBHLN-UHFFFAOYSA-N

Formula

C18H24Cl2O5

SMILES

CCCCCCCCOC(=O)COCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

391.29

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• 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°	53.96	kJ/mol	Joback Calculated Property
ΔvapH°	107.96	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	4.819		Crippen Calculated Property
McVol	285.950	ml/mol	McGowan Calculated Property
Pc	1345.70	kPa	Joback Calculated Property
Inp	[3311.00; 3311.00]
Inp	3311.00		NIST
Inp	3311.00		NIST
Tboil	653.71	K	Relay (1.0) Calculated Property
Tfus	308.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[829.76; 889.39]	J/mol×K	[861.80; 1067.33]
Cp,gas	829.76	J/mol×K	861.80	Joback Calculated Property
Cp,gas	842.72	J/mol×K	896.05	Joback Calculated Property
Cp,gas	854.46	J/mol×K	930.31	Joback Calculated Property
Cp,gas	864.99	J/mol×K	964.56	Joback Calculated Property
Cp,gas	874.32	J/mol×K	998.82	Joback Calculated Property
Cp,gas	882.45	J/mol×K	1033.07	Joback Calculated Property
Cp,gas	889.39	J/mol×K	1067.33	Joback Calculated Property
η	[0.0000314; 0.0003967]	Pa×s	[510.81; 861.80]
η	0.0003967	Pa×s	510.81	Joback Calculated Property
η	0.0002092	Pa×s	569.31	Joback Calculated Property
η	0.0001243	Pa×s	627.81	Joback Calculated Property
η	0.0000807	Pa×s	686.30	Joback Calculated Property
η	0.0000561	Pa×s	744.80	Joback Calculated Property
η	0.0000411	Pa×s	803.30	Joback Calculated Property
η	0.0000314	Pa×s	861.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,3-dichlorophenyl octyl 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.
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