Chemical Properties of Glutaric acid, 2,4-dimethylpent-3-yl isohexyl ester

InChI

InChI=1S/C18H34O4/c1-13(2)9-8-12-21-16(19)10-7-11-17(20)22-18(14(3)4)15(5)6/h13-15,18H,7-12H2,1-6H3

InChI Key

XXHQQGXDOCDUKX-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CC(C)CCCOC(=O)CCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

314.46

• 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	0.8399		Relay (... Calculated Property
ΔfG°	-376.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1065.80	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.86	kJ/mol	Joback Calculated Property
ΔvapH°	79.82	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-4.17		Relay (... Calculated Property
logPoct/wat	4.360		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Inp	[2011.00; 2011.00]
Inp	2011.00		NIST
Inp	2011.00		NIST
Tboil	589.63	K	Relay (... Calculated Property
Tc	751.26	K	Relay (... Calculated Property
Tfus	247.19	K	Relay (... Calculated Property
Vc	1.027	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[851.43; 944.75]	J/mol×K	[762.06; 946.82]
Cp,gas	851.43	J/mol×K	762.06	Joback Calculated Property
Cp,gas	869.48	J/mol×K	792.85	Joback Calculated Property
Cp,gas	886.51	J/mol×K	823.65	Joback Calculated Property
Cp,gas	902.54	J/mol×K	854.44	Joback Calculated Property
Cp,gas	917.58	J/mol×K	885.24	Joback Calculated Property
Cp,gas	931.65	J/mol×K	916.03	Joback Calculated Property
Cp,gas	944.75	J/mol×K	946.82	Joback Calculated Property
η	[0.0000509; 0.0024596]	Pa×s	[376.94; 762.06]
η	0.0024596	Pa×s	376.94	Joback Calculated Property
η	0.0008051	Pa×s	441.13	Joback Calculated Property
η	0.0003500	Pa×s	505.31	Joback Calculated Property
η	0.0001836	Pa×s	569.50	Joback Calculated Property
η	0.0001097	Pa×s	633.69	Joback Calculated Property
η	0.0000721	Pa×s	697.87	Joback Calculated Property
η	0.0000509	Pa×s	762.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4-dimethylpent-3-yl isohexyl ester.

Sources

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

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