Chemical Properties of Diglycolic acid, heptyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C19H36O5/c1-6-7-8-9-10-11-23-17(20)14-22-15-18(21)24-13-16(2)12-19(3,4)5/h16H,6-15H2,1-5H3

InChI Key

XMBCPBWTMYLROH-UHFFFAOYSA-N

Formula

C19H36O5

SMILES

CCCCCCCOC(=O)COCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

344.49

• 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).
• 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°	43.95	kJ/mol	Joback Calculated Property
ΔvapH°	87.71	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	4.132		Crippen Calculated Property
McVol	299.320	ml/mol	McGowan Calculated Property
Inp	[2686.00; 2686.00]
Inp	2686.00		NIST
Inp	2686.00		NIST
Tboil	620.76	K	Relay (1.0) Calculated Property
Tfus	259.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[925.76; 1017.77]	J/mol×K	[769.51; 950.89]
Cp,gas	925.76	J/mol×K	769.51	Joback Calculated Property
Cp,gas	943.78	J/mol×K	799.74	Joback Calculated Property
Cp,gas	960.71	J/mol×K	829.97	Joback Calculated Property
Cp,gas	976.55	J/mol×K	860.20	Joback Calculated Property
Cp,gas	991.33	J/mol×K	890.43	Joback Calculated Property
Cp,gas	1005.06	J/mol×K	920.66	Joback Calculated Property
Cp,gas	1017.77	J/mol×K	950.89	Joback Calculated Property
η	[0.0000273; 0.0014540]	Pa×s	[398.20; 769.51]
η	0.0014540	Pa×s	398.20	Joback Calculated Property
η	0.0004803	Pa×s	460.08	Joback Calculated Property
η	0.0002063	Pa×s	521.97	Joback Calculated Property
η	0.0001060	Pa×s	583.86	Joback Calculated Property
η	0.0000619	Pa×s	645.74	Joback Calculated Property
η	0.0000397	Pa×s	707.62	Joback Calculated Property
η	0.0000273	Pa×s	769.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, heptyl 2,4,4-trimethylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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