Chemical Properties of Diglycolic acid, 3-chlorophenyl nonyl ester

InChI

InChI=1S/C19H27ClO5/c1-2-3-4-5-6-7-8-12-24-18(21)14-23-15-19(22)25-17-11-9-10-16(20)13-17/h9-11,13H,2-8,12,14-15H2,1H3

InChI Key

MAVXFAIIDKBUBD-UHFFFAOYSA-N

Formula

C19H27ClO5

SMILES

CCCCCCCCCOC(=O)COCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

370.87

• 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°	49.58	kJ/mol	Joback Calculated Property
ΔvapH°	107.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	4.556		Crippen Calculated Property
McVol	287.800	ml/mol	McGowan Calculated Property
Pc	1384.02	kPa	Joback Calculated Property
Inp	[3236.00; 3236.00]
Inp	3236.00		NIST
Inp	3236.00		NIST
Tboil	656.48	K	Relay (1.0) Calculated Property
Tfus	301.00	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	[874.61; 942.31]	J/mol×K	[878.21; 1083.90]
Cp,gas	874.61	J/mol×K	878.21	Joback Calculated Property
Cp,gas	888.85	J/mol×K	912.49	Joback Calculated Property
Cp,gas	901.90	J/mol×K	946.77	Joback Calculated Property
Cp,gas	913.75	J/mol×K	981.06	Joback Calculated Property
Cp,gas	924.43	J/mol×K	1015.34	Joback Calculated Property
Cp,gas	933.95	J/mol×K	1049.62	Joback Calculated Property
Cp,gas	942.31	J/mol×K	1083.90	Joback Calculated Property
η	[0.0000408; 0.0003777]	Pa×s	[539.30; 878.21]
η	0.0003777	Pa×s	539.30	Joback Calculated Property
η	0.0002186	Pa×s	595.78	Joback Calculated Property
η	0.0001390	Pa×s	652.27	Joback Calculated Property
η	0.0000951	Pa×s	708.75	Joback Calculated Property
η	0.0000688	Pa×s	765.24	Joback Calculated Property
η	0.0000520	Pa×s	821.72	Joback Calculated Property
η	0.0000408	Pa×s	878.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 3-chlorophenyl nonyl 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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