Chemical Properties of Diglycolic acid, 2-isopropylphenyl pentyl ester

InChI

InChI=1S/C18H26O5/c1-4-5-8-11-22-17(19)12-21-13-18(20)23-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3

InChI Key

QREZTYLBQIDPGF-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

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

Molecular Weight¹

322.40

• 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°	42.43	kJ/mol	Joback Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.465		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	622.13	K	Relay (1.0) Calculated Property
Tfus	286.76	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	[778.41; 855.84]	J/mol×K	[781.52; 978.97]
Cp,gas	778.41	J/mol×K	781.52	Joback Calculated Property
Cp,gas	794.21	J/mol×K	814.43	Joback Calculated Property
Cp,gas	808.84	J/mol×K	847.34	Joback Calculated Property
Cp,gas	822.31	J/mol×K	880.24	Joback Calculated Property
Cp,gas	834.63	J/mol×K	913.15	Joback Calculated Property
Cp,gas	845.80	J/mol×K	946.06	Joback Calculated Property
Cp,gas	855.84	J/mol×K	978.97	Joback Calculated Property
η	[0.0000392; 0.0009300]	Pa×s	[423.45; 781.52]
η	0.0009300	Pa×s	423.45	Joback Calculated Property
η	0.0003960	Pa×s	483.13	Joback Calculated Property
η	0.0002034	Pa×s	542.81	Joback Calculated Property
η	0.0001193	Pa×s	602.49	Joback Calculated Property
η	0.0000770	Pa×s	662.16	Joback Calculated Property
η	0.0000534	Pa×s	721.84	Joback Calculated Property
η	0.0000392	Pa×s	781.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-isopropylphenyl 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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