Chemical Properties of 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl-2-methylpropanoate

InChI

InChI=1S/C13H26O3/c1-9(8-14)10(12(2,3)4)16-11(15)13(5,6)7/h9-10,14H,8H2,1-7H3

InChI Key

FEZQUOCHDRVWLJ-UHFFFAOYSA-N

Formula

C13H26O3

SMILES

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

Molecular Weight¹

230.35

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : 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°	16.01	kJ/mol	Joback Calculated Property
ΔvapH°	77.58	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.619		Crippen Calculated Property
McVol	207.340	ml/mol	McGowan Calculated Property
Ip	[1882.00; 1894.00]
Ip	1882.00		NIST
Ip	1882.00		NIST
Ip	1894.00		NIST
Ip	1882.00		NIST
Tboil	525.50	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, 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	[306.55; 720.80]	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			-3.05390e+01
Coefficient B			1.48154e+00
Coefficient C			-9.69200e-04
Coefficient D			2.39000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.55	J/mol×K	273.00	Calculated Property
Cp,gas	382.88	J/mol×K	353.78	Calculated Property
Cp,gas	449.86	J/mol×K	434.56	Calculated Property
Cp,gas	508.27	J/mol×K	515.33	Calculated Property
Cp,gas	558.85	J/mol×K	596.11	Calculated Property
Cp,gas	602.35	J/mol×K	676.89	Calculated Property
Cp,gas	639.55	J/mol×K	757.67	Calculated Property
Cp,gas	671.18	J/mol×K	838.44	Calculated Property
Cp,gas	698.02	J/mol×K	919.22	Calculated Property
Cp,gas	720.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0256573; 0.0000592]	Pa×s	[314.26; 575.78]	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			-1.70294e+01
Coefficient B			4.20055e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			314.26
Temperature range, max.			575.78
η	0.0256573	Pa×s	314.26	Calculated Property
η	0.0082772	Pa×s	343.32	Calculated Property
η	0.0031859	Pa×s	372.38	Calculated Property
η	0.0014081	Pa×s	401.43	Calculated Property
η	0.0006948	Pa×s	430.49	Calculated Property
η	0.0003749	Pa×s	459.55	Calculated Property
η	0.0002177	Pa×s	488.61	Calculated Property
η	0.0001344	Pa×s	517.67	Calculated Property
η	0.0000873	Pa×s	546.72	Calculated Property
η	0.0000592	Pa×s	575.78	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl-2-methylpropanoate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.