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

InChI

InChI=1S/C25H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-29-23(26)20-28-21-24(27)30-19-22(2)18-25(3,4)5/h22H,6-21H2,1-5H3

InChI Key

WRTNHRNXYIIDRS-UHFFFAOYSA-N

Formula

C25H48O5

SMILES

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

Molecular Weight¹

428.65

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1550		Relay (1.0) Calculated Property
ΔfG°	-412.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1326.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.33	kJ/mol	Joback Calculated Property
ΔvapH°	109.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) Calculated Property
logPoct/wat	6.473		Crippen Calculated Property
McVol	383.860	ml/mol	McGowan Calculated Property
Pc	808.91	kPa	Joback Calculated Property
Inp	[3411.00; 3411.00]
Inp	3411.00		NIST
Inp	3411.00		NIST
Tboil	663.61	K	Relay (1.0) Calculated Property
Tc	828.04	K	Relay (1.0) Calculated Property
Tfus	286.45	K	Relay (1.0) Calculated Property
Vc	1.448	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1313.44; 1409.89]	J/mol×K	[942.73; 1156.42]
Cp,gas	1313.44	J/mol×K	942.73	Joback Calculated Property
Cp,gas	1333.33	J/mol×K	978.34	Joback Calculated Property
Cp,gas	1351.63	J/mol×K	1013.96	Joback Calculated Property
Cp,gas	1368.39	J/mol×K	1049.57	Joback Calculated Property
Cp,gas	1383.66	J/mol×K	1085.19	Joback Calculated Property
Cp,gas	1397.47	J/mol×K	1120.80	Joback Calculated Property
Cp,gas	1409.89	J/mol×K	1156.42	Joback Calculated Property
η	[0.0000130; 0.0003191]	Pa×s	[525.48; 942.73]
η	0.0003191	Pa×s	525.48	Joback Calculated Property
η	0.0001370	Pa×s	595.02	Joback Calculated Property
η	0.0000702	Pa×s	664.56	Joback Calculated Property
η	0.0000408	Pa×s	734.11	Joback Calculated Property
η	0.0000261	Pa×s	803.65	Joback Calculated Property
η	0.0000179	Pa×s	873.19	Joback Calculated Property
η	0.0000130	Pa×s	942.73	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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