Chemical Properties of Diglycolic acid, 2-formylphenyl hexyl ester

InChI

InChI=1S/C17H22O6/c1-2-3-4-7-10-22-16(19)12-21-13-17(20)23-15-9-6-5-8-14(15)11-18/h5-6,8-9,11H,2-4,7,10,12-13H2,1H3

InChI Key

QOWIVPJKPLMESD-UHFFFAOYSA-N

Formula

C17H22O6

SMILES

CCCCCCOC(=O)COCC(=O)Oc1ccccc1C=O

Molecular Weight¹

322.35

• 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°	45.65	kJ/mol	Joback Calculated Property
ΔvapH°	96.82	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	2.545		Crippen Calculated Property
McVol	248.950	ml/mol	McGowan Calculated Property
Pc	1643.09	kPa	Joback Calculated Property
Inp	[2967.00; 2967.00]
Inp	2967.00		NIST
Inp	2967.00		NIST
Tboil	640.81	K	Relay (1.0) Calculated Property
Tfus	291.29	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	[737.99; 802.06]	J/mol×K	[807.74; 1007.81]
Cp,gas	737.99	J/mol×K	807.74	Joback Calculated Property
Cp,gas	751.46	J/mol×K	841.09	Joback Calculated Property
Cp,gas	763.81	J/mol×K	874.43	Joback Calculated Property
Cp,gas	775.04	J/mol×K	907.78	Joback Calculated Property
Cp,gas	785.16	J/mol×K	941.12	Joback Calculated Property
Cp,gas	794.16	J/mol×K	974.47	Joback Calculated Property
Cp,gas	802.06	J/mol×K	1007.81	Joback Calculated Property
η	[0.0000525; 0.0007572]	Pa×s	[469.18; 807.74]
η	0.0007572	Pa×s	469.18	Joback Calculated Property
η	0.0003822	Pa×s	525.61	Joback Calculated Property
η	0.0002203	Pa×s	582.03	Joback Calculated Property
η	0.0001400	Pa×s	638.46	Joback Calculated Property
η	0.0000957	Pa×s	694.89	Joback Calculated Property
η	0.0000693	Pa×s	751.31	Joback Calculated Property
η	0.0000525	Pa×s	807.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-formylphenyl 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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