Chemical Properties of Diglycolic acid, di(3,7-dimethyloctyl) ester

InChI

InChI=1S/C24H46O5/c1-19(2)9-7-11-21(5)13-15-28-23(25)17-27-18-24(26)29-16-14-22(6)12-8-10-20(3)4/h19-22H,7-18H2,1-6H3

InChI Key

KGGWTGSVRQHMFF-UHFFFAOYSA-N

Formula

C24H46O5

SMILES

CC(C)CCCC(C)CCOC(=O)COCC(=O)OCCC(C)CCCC(C)C

Molecular Weight¹

414.63

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1338.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.75	kJ/mol	Joback Calculated Property
ΔvapH°	107.42	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.794		Crippen Calculated Property
McVol	369.770	ml/mol	McGowan Calculated Property
Pc	817.73	kPa	Joback Calculated Property
Inp	[3241.00; 3241.00]
Inp	3241.00		NIST
Inp	3241.00		NIST
Tboil	654.17	K	Relay (1.0) Calculated Property
Tc	816.03	K	Relay (1.0) Calculated Property
Tfus	260.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[1233.23; 1328.12]	J/mol×K	[885.82; 1084.57]
Cp,gas	1233.23	J/mol×K	885.82	Joback Calculated Property
Cp,gas	1252.86	J/mol×K	918.94	Joback Calculated Property
Cp,gas	1270.94	J/mol×K	952.07	Joback Calculated Property
Cp,gas	1287.48	J/mol×K	985.19	Joback Calculated Property
Cp,gas	1302.51	J/mol×K	1018.32	Joback Calculated Property
Cp,gas	1316.05	J/mol×K	1051.44	Joback Calculated Property
Cp,gas	1328.12	J/mol×K	1084.57	Joback Calculated Property
η	[0.0000117; 0.0014337]	Pa×s	[407.13; 885.82]
η	0.0014337	Pa×s	407.13	Joback Calculated Property
η	0.0003336	Pa×s	486.91	Joback Calculated Property
η	0.0001170	Pa×s	566.69	Joback Calculated Property
η	0.0000532	Pa×s	646.47	Joback Calculated Property
η	0.0000287	Pa×s	726.26	Joback Calculated Property
η	0.0000175	Pa×s	806.04	Joback Calculated Property
η	0.0000117	Pa×s	885.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(3,7-dimethyloctyl) 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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