Chemical Properties of Diglycolic acid, 2-formylphenyl pentyl ester

InChI

InChI=1S/C16H20O6/c1-2-3-6-9-21-15(18)11-20-12-16(19)22-14-8-5-4-7-13(14)10-17/h4-5,7-8,10H,2-3,6,9,11-12H2,1H3

InChI Key

OMNXZWWODTURCN-UHFFFAOYSA-N

Formula

C16H20O6

SMILES

CCCCCOC(=O)COCC(=O)Oc1ccccc1C=O

Molecular Weight¹

308.33

• 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°	43.06	kJ/mol	Joback Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	234.860	ml/mol	McGowan Calculated Property
Pc	1778.84	kPa	Joback Calculated Property
Inp	[2835.00; 2835.00]
Inp	2835.00		NIST
Inp	2835.00		NIST
Tboil	633.06	K	Relay (1.0) Calculated Property
Tfus	289.65	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	[682.19; 745.62]	J/mol×K	[784.86; 985.46]
Cp,gas	682.19	J/mol×K	784.86	Joback Calculated Property
Cp,gas	695.45	J/mol×K	818.29	Joback Calculated Property
Cp,gas	707.63	J/mol×K	851.73	Joback Calculated Property
Cp,gas	718.74	J/mol×K	885.16	Joback Calculated Property
Cp,gas	728.77	J/mol×K	918.59	Joback Calculated Property
Cp,gas	737.73	J/mol×K	952.02	Joback Calculated Property
Cp,gas	745.62	J/mol×K	985.46	Joback Calculated Property
η	[0.0000605; 0.0008415]	Pa×s	[457.91; 784.86]
η	0.0008415	Pa×s	457.91	Joback Calculated Property
η	0.0004298	Pa×s	512.40	Joback Calculated Property
η	0.0002498	Pa×s	566.89	Joback Calculated Property
η	0.0001596	Pa×s	621.38	Joback Calculated Property
η	0.0001097	Pa×s	675.88	Joback Calculated Property
η	0.0000797	Pa×s	730.37	Joback Calculated Property
η	0.0000605	Pa×s	784.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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