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_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	0.7726		Relay (... Calculated Property
ΔfG°	-393.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1025.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.68	kJ/mol	Joback Calculated Property
ΔvapH°	75.47	kJ/mol	Relay (... Calculated Property
IE	9.52	eV	Relay (... Calculated Property
log10WS	-3.57		Relay (... Calculated Property
logPoct/wat	3.580		Crippen Calculated Property
McVol	251.180	ml/mol	McGowan Calculated Property
Pc	1445.73	kPa	Joback Calculated Property
Inp	[1802.00; 1802.00]
Inp	1802.00		NIST
Inp	1802.00		NIST
Tboil	570.67	K	Relay (... Calculated Property
Tc	728.09	K	Relay (... Calculated Property
Tfus	249.65	K	Relay (... Calculated Property
Vc	0.925	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.52; 826.37]	J/mol×K	[716.30; 900.82]
Cp,gas	735.52	J/mol×K	716.30	Joback Calculated Property
Cp,gas	752.94	J/mol×K	747.05	Joback Calculated Property
Cp,gas	769.44	J/mol×K	777.81	Joback Calculated Property
Cp,gas	785.03	J/mol×K	808.56	Joback Calculated Property
Cp,gas	799.71	J/mol×K	839.31	Joback Calculated Property
Cp,gas	813.48	J/mol×K	870.06	Joback Calculated Property
Cp,gas	826.37	J/mol×K	900.82	Joback Calculated Property
η	[0.0000676; 0.0031943]	Pa×s	[354.40; 716.30]
η	0.0031943	Pa×s	354.40	Joback Calculated Property
η	0.0010527	Pa×s	414.72	Joback Calculated Property
η	0.0004599	Pa×s	475.03	Joback Calculated Property
η	0.0002421	Pa×s	535.35	Joback Calculated Property
η	0.0001452	Pa×s	595.67	Joback Calculated Property
η	0.0000956	Pa×s	655.98	Joback Calculated Property
η	0.0000676	Pa×s	716.30	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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