Chemical Properties of Diglycolic acid, 2-chlorophenyl hexyl ester

InChI

InChI=1S/C16H21ClO5/c1-2-3-4-7-10-21-15(18)11-20-12-16(19)22-14-9-6-5-8-13(14)17/h5-6,8-9H,2-4,7,10-12H2,1H3

InChI Key

QKSLUHBQSPUWMK-UHFFFAOYSA-N

Formula

C16H21ClO5

SMILES

CCCCCCOC(=O)COCC(=O)Oc1ccccc1Cl

Molecular Weight¹

328.79

• 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).
• 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).
• 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°	44.97	kJ/mol	Joback Calculated Property
ΔvapH°	96.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.386		Crippen Calculated Property
McVol	245.530	ml/mol	McGowan Calculated Property
Pc	1623.29	kPa	Joback Calculated Property
Inp	[2840.00; 2840.00]
Inp	2840.00		NIST
Inp	2840.00		NIST
Tboil	620.92	K	Relay (1.0) Calculated Property
Tfus	295.01	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 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	[692.71; 760.35]	J/mol×K	[773.63; 974.41]
Cp,gas	692.71	J/mol×K	773.63	Joback Calculated Property
Cp,gas	706.68	J/mol×K	807.09	Joback Calculated Property
Cp,gas	719.56	J/mol×K	840.56	Joback Calculated Property
Cp,gas	731.36	J/mol×K	874.02	Joback Calculated Property
Cp,gas	742.09	J/mol×K	907.49	Joback Calculated Property
Cp,gas	751.75	J/mol×K	940.95	Joback Calculated Property
Cp,gas	760.35	J/mol×K	974.41	Joback Calculated Property
η	[0.0000491; 0.0007521]	Pa×s	[445.83; 773.63]
η	0.0007521	Pa×s	445.83	Joback Calculated Property
η	0.0003723	Pa×s	500.46	Joback Calculated Property
η	0.0002116	Pa×s	555.10	Joback Calculated Property
η	0.0001331	Pa×s	609.73	Joback Calculated Property
η	0.0000904	Pa×s	664.36	Joback Calculated Property
η	0.0000651	Pa×s	719.00	Joback Calculated Property
η	0.0000491	Pa×s	773.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-chlorophenyl hexyl 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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