Chemical Properties of Diglycolic acid, 2-isopropylphenyl propyl ester

InChI

InChI=1S/C16H22O5/c1-4-9-20-15(17)10-19-11-16(18)21-14-8-6-5-7-13(14)12(2)3/h5-8,12H,4,9-11H2,1-3H3

InChI Key

HBIAXHWJIREAAN-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCCOC(=O)COCC(=O)Oc1ccccc1C(C)C

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).
• 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°	37.25	kJ/mol	Joback Calculated Property
log10WS	-3.20		Relay (1.0) Calculated Property
logPoct/wat	2.685		Crippen Calculated Property
McVol	233.290	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	608.36	K	Relay (1.0) Calculated Property
Tfus	289.77	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	[665.92; 742.11]	J/mol×K	[735.76; 935.37]
Cp,gas	665.92	J/mol×K	735.76	Joback Calculated Property
Cp,gas	681.33	J/mol×K	769.03	Joback Calculated Property
Cp,gas	695.64	J/mol×K	802.30	Joback Calculated Property
Cp,gas	708.88	J/mol×K	835.56	Joback Calculated Property
Cp,gas	721.03	J/mol×K	868.83	Joback Calculated Property
Cp,gas	732.11	J/mol×K	902.10	Joback Calculated Property
Cp,gas	742.11	J/mol×K	935.37	Joback Calculated Property
η	[0.0000521; 0.0011656]	Pa×s	[400.91; 735.76]
η	0.0011656	Pa×s	400.91	Joback Calculated Property
η	0.0005059	Pa×s	456.72	Joback Calculated Property
η	0.0002633	Pa×s	512.53	Joback Calculated Property
η	0.0001558	Pa×s	568.34	Joback Calculated Property
η	0.0001013	Pa×s	624.14	Joback Calculated Property
η	0.0000707	Pa×s	679.95	Joback Calculated Property
η	0.0000521	Pa×s	735.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-isopropylphenyl propyl 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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