Chemical Properties of Glutaric acid, propyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C16H30O4/c1-6-10-19-14(17)8-7-9-15(18)20-12-13(2)11-16(3,4)5/h13H,6-12H2,1-5H3

InChI Key

XNNZIGWKRQDJKH-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

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

Molecular Weight¹

286.41

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1027.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.83	kJ/mol	Joback Calculated Property
ΔvapH°	74.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.725		Crippen Calculated Property
McVol	251.180	ml/mol	McGowan Calculated Property
Pc	1440.25	kPa	Joback Calculated Property
Inp	[1859.00; 1859.00]
Inp	1859.00		NIST
Inp	1859.00		NIST
Tboil	578.34	K	Relay (1.0) Calculated Property
Tc	727.40	K	Relay (1.0) Calculated Property
Tfus	251.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.17; 825.37]	J/mol×K	[714.39; 898.38]
Cp,gas	736.17	J/mol×K	714.39	Joback Calculated Property
Cp,gas	753.26	J/mol×K	745.06	Joback Calculated Property
Cp,gas	769.43	J/mol×K	775.72	Joback Calculated Property
Cp,gas	784.70	J/mol×K	806.39	Joback Calculated Property
Cp,gas	799.10	J/mol×K	837.05	Joback Calculated Property
Cp,gas	812.65	J/mol×K	867.72	Joback Calculated Property
Cp,gas	825.37	J/mol×K	898.38	Joback Calculated Property
η	[0.0000715; 0.0015604]	Pa×s	[401.82; 714.39]
η	0.0015604	Pa×s	401.82	Joback Calculated Property
η	0.0006949	Pa×s	453.91	Joback Calculated Property
η	0.0003656	Pa×s	506.01	Joback Calculated Property
η	0.0002168	Pa×s	558.11	Joback Calculated Property
η	0.0001406	Pa×s	610.20	Joback Calculated Property
η	0.0000976	Pa×s	662.30	Joback Calculated Property
η	0.0000715	Pa×s	714.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, propyl 2,4,4-trimethylpentyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.