Chemical Properties of Diglycolic acid, di(2,4,4-trimethylpentyl) ester

InChI

InChI=1S/C20H38O5/c1-15(9-19(3,4)5)11-24-17(21)13-23-14-18(22)25-12-16(2)10-20(6,7)8/h15-16H,9-14H2,1-8H3

InChI Key

BGSIVQJXQZWKLE-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

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

Molecular Weight¹

358.51

• 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	0.8859		Relay (1.0) Calculated Property
ΔfG°	-454.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1273.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.44	kJ/mol	Joback Calculated Property
ΔvapH°	83.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	4.234		Crippen Calculated Property
McVol	313.410	ml/mol	McGowan Calculated Property
Pc	1104.47	kPa	Joback Calculated Property
Inp	[2628.00; 2628.00]
Inp	2628.00		NIST
Inp	2628.00		NIST
Tboil	619.81	K	Relay (1.0) Calculated Property
Tc	776.62	K	Relay (1.0) Calculated Property
Tfus	305.41	K	Relay (1.0) Calculated Property
Vc	1.169	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1003.50; 1095.79]	J/mol×K	[824.66; 1018.35]
Cp,gas	1003.50	J/mol×K	824.66	Joback Calculated Property
Cp,gas	1021.69	J/mol×K	856.94	Joback Calculated Property
Cp,gas	1038.71	J/mol×K	889.22	Joback Calculated Property
Cp,gas	1054.59	J/mol×K	921.50	Joback Calculated Property
Cp,gas	1069.37	J/mol×K	953.79	Joback Calculated Property
Cp,gas	1083.09	J/mol×K	986.07	Joback Calculated Property
Cp,gas	1095.79	J/mol×K	1018.35	Joback Calculated Property
η	[0.0000212; 0.0007238]	Pa×s	[456.55; 824.66]
η	0.0007238	Pa×s	456.55	Joback Calculated Property
η	0.0002837	Pa×s	517.90	Joback Calculated Property
η	0.0001356	Pa×s	579.25	Joback Calculated Property
η	0.0000747	Pa×s	640.61	Joback Calculated Property
η	0.0000456	Pa×s	701.96	Joback Calculated Property
η	0.0000302	Pa×s	763.31	Joback Calculated Property
η	0.0000212	Pa×s	824.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(2,4,4-trimethylpentyl) ester.

Sources

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

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