Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl ester

InChI

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

InChI Key

VAYQLFINHUZIBV-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

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

Molecular Weight¹

314.46

• 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).
• 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
ΔfG°	-371.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-929.04	kJ/mol	Joback Calculated Property
ΔfusH°	29.97	kJ/mol	Joback Calculated Property
ΔvapH°	71.51	kJ/mol	Joback Calculated Property
log10WS	-4.47		Crippen Calculated Property
logPoct/wat	4.360		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1265.55	kPa	Joback Calculated Property
Inp	[1889.00; 1889.00]
Inp	1889.00		NIST
Inp	1889.00		NIST
Tboil	759.27	K	Joback Calculated Property
Tc	947.34	K	Joback Calculated Property
Tfus	394.36	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.50; 946.02]	J/mol×K	[759.27; 947.34]
Cp,gas	852.50	J/mol×K	759.27	Joback Calculated Property
Cp,gas	870.61	J/mol×K	790.61	Joback Calculated Property
Cp,gas	887.68	J/mol×K	821.96	Joback Calculated Property
Cp,gas	903.72	J/mol×K	853.30	Joback Calculated Property
Cp,gas	918.78	J/mol×K	884.65	Joback Calculated Property
Cp,gas	932.87	J/mol×K	915.99	Joback Calculated Property
Cp,gas	946.02	J/mol×K	947.34	Joback Calculated Property
η	[0.0000451; 0.0019641]	Pa×s	[394.36; 759.27]
η	0.0019641	Pa×s	394.36	Joback Calculated Property
η	0.0006880	Pa×s	455.18	Joback Calculated Property
η	0.0003086	Pa×s	516.00	Joback Calculated Property
η	0.0001640	Pa×s	576.82	Joback Calculated Property
η	0.0000983	Pa×s	637.63	Joback Calculated Property
η	0.0000644	Pa×s	698.45	Joback Calculated Property
η	0.0000451	Pa×s	759.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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