Chemical Properties of Diglycolic acid, 2-isopropoxyphenyl pentyl ester

InChI

InChI=1S/C18H26O6/c1-4-5-8-11-22-17(19)12-21-13-18(20)24-16-10-7-6-9-15(16)23-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3

InChI Key

SSFKSUPWOHGHLB-UHFFFAOYSA-N

Formula

C18H26O6

SMILES

CCCCCOC(=O)COCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

338.40

• 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).
• 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°	43.62	kJ/mol	Joback Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	3.129		Crippen Calculated Property
McVol	267.340	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2992.00; 2992.00]
Inp	2992.00		NIST
Inp	2992.00		NIST
Tboil	630.38	K	Relay (1.0) Calculated Property
Tfus	297.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[807.26; 880.59]	J/mol×K	[803.94; 1001.67]
Cp,gas	807.26	J/mol×K	803.94	Joback Calculated Property
Cp,gas	822.55	J/mol×K	836.90	Joback Calculated Property
Cp,gas	836.63	J/mol×K	869.85	Joback Calculated Property
Cp,gas	849.47	J/mol×K	902.81	Joback Calculated Property
Cp,gas	861.08	J/mol×K	935.76	Joback Calculated Property
Cp,gas	871.46	J/mol×K	968.72	Joback Calculated Property
Cp,gas	880.59	J/mol×K	1001.67	Joback Calculated Property
η	[0.0000293; 0.0006182]	Pa×s	[445.68; 803.94]
η	0.0006182	Pa×s	445.68	Joback Calculated Property
η	0.0002755	Pa×s	505.39	Joback Calculated Property
η	0.0001456	Pa×s	565.10	Joback Calculated Property
η	0.0000870	Pa×s	624.81	Joback Calculated Property
η	0.0000568	Pa×s	684.52	Joback Calculated Property
η	0.0000397	Pa×s	744.23	Joback Calculated Property
η	0.0000293	Pa×s	803.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-isopropoxyphenyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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