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

InChI

InChI=1S/C24H46O5/c1-6-7-8-9-10-11-12-13-14-15-16-28-22(25)19-27-20-23(26)29-18-21(2)17-24(3,4)5/h21H,6-20H2,1-5H3

InChI Key

CLPQMVLJUCHCMN-UHFFFAOYSA-N

Formula

C24H46O5

SMILES

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

Molecular Weight¹

414.62

• 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	1.1197		Relay (1.0) Calculated Property
ΔfG°	-421.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1306.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.74	kJ/mol	Joback Calculated Property
ΔvapH°	105.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	6.083		Crippen Calculated Property
McVol	369.770	ml/mol	McGowan Calculated Property
Pc	854.96	kPa	Joback Calculated Property
Inp	[3297.00; 3297.00]
Inp	3297.00		NIST
Inp	3297.00		NIST
Tboil	656.78	K	Relay (1.0) Calculated Property
Tc	820.51	K	Relay (1.0) Calculated Property
Tfus	282.43	K	Relay (1.0) Calculated Property
Vc	1.393	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1250.09; 1345.56]	J/mol×K	[919.85; 1126.76]
Cp,gas	1250.09	J/mol×K	919.85	Joback Calculated Property
Cp,gas	1269.55	J/mol×K	954.34	Joback Calculated Property
Cp,gas	1287.53	J/mol×K	988.82	Joback Calculated Property
Cp,gas	1304.09	J/mol×K	1023.31	Joback Calculated Property
Cp,gas	1319.25	J/mol×K	1057.79	Joback Calculated Property
Cp,gas	1333.06	J/mol×K	1092.28	Joback Calculated Property
Cp,gas	1345.56	J/mol×K	1126.76	Joback Calculated Property
η	[0.0000153; 0.0003674]	Pa×s	[514.21; 919.85]
η	0.0003674	Pa×s	514.21	Joback Calculated Property
η	0.0001590	Pa×s	581.82	Joback Calculated Property
η	0.0000819	Pa×s	649.42	Joback Calculated Property
η	0.0000478	Pa×s	717.03	Joback Calculated Property
η	0.0000306	Pa×s	784.64	Joback Calculated Property
η	0.0000211	Pa×s	852.24	Joback Calculated Property
η	0.0000153	Pa×s	919.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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