Chemical Properties of Glutaric acid, 3,3-dimethylbut-2-yl tridecyl ester

InChI

InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-27-22(25)18-17-19-23(26)28-21(2)24(3,4)5/h21H,6-20H2,1-5H3

InChI Key

PLXKJFKMPYMZTR-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

398.62

• 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	1.0806		Relay (1.0) Calculated Property
ΔfG°	-316.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1175.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.55	kJ/mol	Joback Calculated Property
ΔvapH°	105.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-6.41		Relay (1.0) Calculated Property
logPoct/wat	6.989		Crippen Calculated Property
McVol	363.900	ml/mol	McGowan Calculated Property
Pc	863.53	kPa	Joback Calculated Property
Inp	[2678.00; 2678.00]
Inp	2678.00		NIST
Inp	2678.00		NIST
Tboil	632.64	K	Relay (1.0) Calculated Property
Tc	810.17	K	Relay (1.0) Calculated Property
Tfus	300.62	K	Relay (1.0) Calculated Property
Vc	1.381	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1218.06; 1318.12]	J/mol×K	[897.43; 1098.73]
Cp,gas	1218.06	J/mol×K	897.43	Joback Calculated Property
Cp,gas	1237.89	J/mol×K	930.98	Joback Calculated Property
Cp,gas	1256.38	J/mol×K	964.53	Joback Calculated Property
Cp,gas	1273.61	J/mol×K	998.08	Joback Calculated Property
Cp,gas	1289.60	J/mol×K	1031.63	Joback Calculated Property
Cp,gas	1304.43	J/mol×K	1065.18	Joback Calculated Property
Cp,gas	1318.12	J/mol×K	1098.73	Joback Calculated Property
η	[0.0000209; 0.0005616]	Pa×s	[491.98; 897.43]
η	0.0005616	Pa×s	491.98	Joback Calculated Property
η	0.0002329	Pa×s	559.56	Joback Calculated Property
η	0.0001168	Pa×s	627.13	Joback Calculated Property
η	0.0000670	Pa×s	694.71	Joback Calculated Property
η	0.0000424	Pa×s	762.28	Joback Calculated Property
η	0.0000289	Pa×s	829.86	Joback Calculated Property
η	0.0000209	Pa×s	897.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,3-dimethylbut-2-yl tridecyl ester.

Sources

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

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