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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.60; 772.00]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.03390e+01
Coefficient B			1.46254e+00
Coefficient C			-8.58200e-04
Coefficient D			1.78000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.60	J/mol×K	273.00	Calculated Property
Cp,gas	407.55	J/mol×K	353.78	Calculated Property
Cp,gas	477.76	J/mol×K	434.56	Calculated Property
Cp,gas	539.81	J/mol×K	515.33	Calculated Property
Cp,gas	594.24	J/mol×K	596.11	Calculated Property
Cp,gas	641.63	J/mol×K	676.89	Calculated Property
Cp,gas	682.54	J/mol×K	757.67	Calculated Property
Cp,gas	717.53	J/mol×K	838.44	Calculated Property
Cp,gas	747.16	J/mol×K	919.22	Calculated Property
Cp,gas	772.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0599844; 0.0000493]	Pa×s	[293.11; 591.20]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.69033e+01
Coefficient B			4.12981e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			293.11
Temperature range, max.			591.20
η	0.0599844	Pa×s	293.11	Calculated Property
η	0.0143479	Pa×s	326.23	Calculated Property
η	0.0044675	Pa×s	359.35	Calculated Property
η	0.0016938	Pa×s	392.47	Calculated Property
η	0.0007468	Pa×s	425.60	Calculated Property
η	0.0003706	Pa×s	458.72	Calculated Property
η	0.0002021	Pa×s	491.84	Calculated Property
η	0.0001190	Pa×s	524.96	Calculated Property
η	0.0000746	Pa×s	558.08	Calculated Property
η	0.0000493	Pa×s	591.20	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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