Chemical Properties of Diglycolic acid, 3-methylphenyl pentyl ester

InChI

InChI=1S/C16H22O5/c1-3-4-5-9-20-15(17)11-19-12-16(18)21-14-8-6-7-13(2)10-14/h6-8,10H,3-5,9,11-12H2,1-2H3

InChI Key

GIWCYMIPISQFSG-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCCCCOC(=O)COCC(=O)Oc1cccc(C)c1

Molecular Weight¹

294.35

• 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).
• 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°	40.77	kJ/mol	Joback Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	2.650		Crippen Calculated Property
McVol	233.290	ml/mol	McGowan Calculated Property
Pc	1672.79	kPa	Joback Calculated Property
Inp	[2635.00; 2635.00]
Inp	2635.00		NIST
Inp	2635.00		NIST
Tboil	625.00	K	Relay (1.0) Calculated Property
Tfus	283.45	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 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	[665.39; 740.78]	J/mol×K	[736.20; 932.98]
Cp,gas	665.39	J/mol×K	736.20	Joback Calculated Property
Cp,gas	680.56	J/mol×K	769.00	Joback Calculated Property
Cp,gas	694.68	J/mol×K	801.79	Joback Calculated Property
Cp,gas	707.77	J/mol×K	834.59	Joback Calculated Property
Cp,gas	719.81	J/mol×K	867.39	Joback Calculated Property
Cp,gas	730.81	J/mol×K	900.18	Joback Calculated Property
Cp,gas	740.78	J/mol×K	932.98	Joback Calculated Property
η	[0.0000564; 0.0009512]	Pa×s	[415.91; 736.20]
η	0.0009512	Pa×s	415.91	Joback Calculated Property
η	0.0004545	Pa×s	469.29	Joback Calculated Property
η	0.0002525	Pa×s	522.67	Joback Calculated Property
η	0.0001564	Pa×s	576.06	Joback Calculated Property
η	0.0001051	Pa×s	629.44	Joback Calculated Property
η	0.0000751	Pa×s	682.82	Joback Calculated Property
η	0.0000564	Pa×s	736.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 3-methylphenyl pentyl 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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