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

InChI

InChI=1S/C16H30O4/c1-11(2)10-19-14(17)8-7-9-15(18)20-16(12(3)4)13(5)6/h11-13,16H,7-10H2,1-6H3

InChI Key

UXHICLNPNLKXQI-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

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

Molecular Weight¹

286.41

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7726		Relay (1.0) Calculated Property
ΔfH°gas	-1025.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.84	kJ/mol	Joback Calculated Property
ΔvapH°	76.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	3.580		Crippen Calculated Property
McVol	251.180	ml/mol	McGowan Calculated Property
Pc	1359.63	kPa	Joback Calculated Property
Inp	[1802.00; 1802.00]
Inp	1802.00		NIST
Inp	1802.00		NIST
Tboil	570.67	K	Relay (1.0) Calculated Property
Tc	732.59	K	Relay (1.0) Calculated Property
Tfus	244.94	K	Relay (1.0) Calculated Property
Vc	0.929	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.35; 813.47]	J/mol×K	[680.36; 860.08]
Cp,gas	720.35	J/mol×K	680.36	Joback Calculated Property
Cp,gas	738.24	J/mol×K	710.31	Joback Calculated Property
Cp,gas	755.17	J/mol×K	740.27	Joback Calculated Property
Cp,gas	771.15	J/mol×K	770.22	Joback Calculated Property
Cp,gas	786.18	J/mol×K	800.17	Joback Calculated Property
Cp,gas	800.29	J/mol×K	830.12	Joback Calculated Property
Cp,gas	813.47	J/mol×K	860.08	Joback Calculated Property
η	[0.0000555; 0.0109322]	Pa×s	[294.74; 680.36]
η	0.0109322	Pa×s	294.74	Joback Calculated Property
η	0.0020602	Pa×s	359.01	Joback Calculated Property
η	0.0006445	Pa×s	423.28	Joback Calculated Property
η	0.0002739	Pa×s	487.55	Joback Calculated Property
η	0.0001421	Pa×s	551.82	Joback Calculated Property
η	0.0000845	Pa×s	616.09	Joback Calculated Property
η	0.0000555	Pa×s	680.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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