Chemical Properties of 2-Methyl-2-ethyl-3-hydroxyhexyl propionate

InChI

InChI=1S/C12H24O3/c1-5-8-10(13)12(4,7-3)9-15-11(14)6-2/h10,13H,5-9H2,1-4H3

InChI Key

QONBAQBZDACBTM-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

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

Molecular Weight¹

216.32

Other Names

• 2-methyl-2-ethyl-3 hydroxyhexyl propanoate

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.36	kJ/mol	Joback Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	193.250	ml/mol	McGowan Calculated Property
Inp	[1370.00; 1378.00]
Inp	1378.00		NIST
Inp	1370.00		NIST
I	1859.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[287.11; 667.21]	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			-3.47500e+00
Coefficient B			1.25478e+00
Coefficient C			-7.39800e-04
Coefficient D			1.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.11	J/mol×K	273.00	Calculated Property
Cp,gas	354.74	J/mol×K	353.78	Calculated Property
Cp,gas	414.87	J/mol×K	434.56	Calculated Property
Cp,gas	468.00	J/mol×K	515.33	Calculated Property
Cp,gas	514.61	J/mol×K	596.11	Calculated Property
Cp,gas	555.20	J/mol×K	676.89	Calculated Property
Cp,gas	590.26	J/mol×K	757.67	Calculated Property
Cp,gas	620.29	J/mol×K	838.44	Calculated Property
Cp,gas	645.77	J/mol×K	919.22	Calculated Property
Cp,gas	667.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0166606; 0.0000881]	Pa×s	[315.57; 555.71]	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			-1.62252e+01
Coefficient B			3.82803e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			315.57
Temperature range, max.			555.71
η	0.0166606	Pa×s	315.57	Calculated Property
η	0.0064710	Pa×s	342.25	Calculated Property
η	0.0028818	Pa×s	368.94	Calculated Property
η	0.0014313	Pa×s	395.62	Calculated Property
η	0.0007766	Pa×s	422.30	Calculated Property
η	0.0004532	Pa×s	448.98	Calculated Property
η	0.0002809	Pa×s	475.67	Calculated Property
η	0.0001832	Pa×s	502.35	Calculated Property
η	0.0001247	Pa×s	529.03	Calculated Property
η	0.0000881	Pa×s	555.71	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-2-ethyl-3-hydroxyhexyl propionate.

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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