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

InChI

InChI=1S/C20H38O4/c1-6-7-8-9-10-11-12-16-23-18(21)14-13-15-19(22)24-17(2)20(3,4)5/h17H,6-16H2,1-5H3

InChI Key

AZLRBIMMHQLLSA-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

342.51

• 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	0.9385		Relay (1.0) Calculated Property
ΔfG°	-349.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1096.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.19	kJ/mol	Joback Calculated Property
ΔvapH°	89.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	5.428		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1097.17	kPa	Joback Calculated Property
Inp	[2260.00; 2260.00]
Inp	2260.00		NIST
Inp	2260.00		NIST
Tboil	602.59	K	Relay (1.0) Calculated Property
Tc	775.94	K	Relay (1.0) Calculated Property
Tfus	283.89	K	Relay (1.0) Calculated Property
Vc	1.159	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.67; 1065.27]	J/mol×K	[805.91; 992.86]
Cp,gas	970.67	J/mol×K	805.91	Joback Calculated Property
Cp,gas	989.01	J/mol×K	837.07	Joback Calculated Property
Cp,gas	1006.28	J/mol×K	868.23	Joback Calculated Property
Cp,gas	1022.51	J/mol×K	899.38	Joback Calculated Property
Cp,gas	1037.73	J/mol×K	930.54	Joback Calculated Property
Cp,gas	1051.98	J/mol×K	961.70	Joback Calculated Property
Cp,gas	1065.27	J/mol×K	992.86	Joback Calculated Property
η	[0.0000392; 0.0009605]	Pa×s	[446.90; 805.91]
η	0.0009605	Pa×s	446.90	Joback Calculated Property
η	0.0004114	Pa×s	506.73	Joback Calculated Property
η	0.0002108	Pa×s	566.57	Joback Calculated Property
η	0.0001227	Pa×s	626.40	Joback Calculated Property
η	0.0000785	Pa×s	686.24	Joback Calculated Property
η	0.0000540	Pa×s	746.08	Joback Calculated Property
η	0.0000392	Pa×s	805.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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