Chemical Properties of propionic acid, 2-methyl-2,2-dimethyl-1-(2-hydroxy-1-methylethyl)-, propyl ester

InChI

InChI=1S/C14H28O3/c1-9(2)11(8-15)12(14(5,6)7)17-13(16)10(3)4/h9-12,15H,8H2,1-7H3

InChI Key

TUFUAULJMNPJTI-UHFFFAOYSA-N

Formula

C14H28O3

SMILES

CC(C)C(=O)OC(C(CO)C(C)C)C(C)(C)C

Molecular Weight¹

244.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.97	kJ/mol	Joback Calculated Property
logPoct/wat	2.865		Crippen Calculated Property
McVol	221.430	ml/mol	McGowan Calculated Property
Inp	[1389.00; 1389.00]
Inp	1389.00		NIST
Inp	1389.00		NIST
Tboil	532.11	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[635.26; 719.96]	J/mol×K	[665.33; 844.57]
Cp,gas	635.26	J/mol×K	665.33	Joback Calculated Property
Cp,gas	651.46	J/mol×K	695.20	Joback Calculated Property
Cp,gas	666.78	J/mol×K	725.08	Joback Calculated Property
Cp,gas	681.27	J/mol×K	754.95	Joback Calculated Property
Cp,gas	694.94	J/mol×K	784.83	Joback Calculated Property
Cp,gas	707.83	J/mol×K	814.70	Joback Calculated Property
Cp,gas	719.96	J/mol×K	844.57	Joback Calculated Property
η	[0.0000226; 0.0599844]	Pa×s	[293.11; 665.33]
η	0.0599844	Pa×s	293.11	Joback Calculated Property
η	0.0051188	Pa×s	355.15	Joback Calculated Property
η	0.0009082	Pa×s	417.18	Joback Calculated Property
η	0.0002521	Pa×s	479.22	Joback Calculated Property
η	0.0000939	Pa×s	541.26	Joback Calculated Property
η	0.0000428	Pa×s	603.29	Joback Calculated Property
η	0.0000226	Pa×s	665.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to propionic acid, 2-methyl-2,2-dimethyl-1-(2-hydroxy-1-methylethyl)-, propyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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