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 : 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°	14.43	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
I	[1882.00; 1894.00]
I	1882.00		NIST
I	1882.00		NIST
I	1894.00		NIST
I	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[589.53; 670.38]	J/mol×K	[657.97; 842.71]
Cp,gas	589.53	J/mol×K	657.97	Joback Calculated Property
Cp,gas	605.03	J/mol×K	688.76	Joback Calculated Property
Cp,gas	619.66	J/mol×K	719.55	Joback Calculated Property
Cp,gas	633.47	J/mol×K	750.34	Joback Calculated Property
Cp,gas	646.50	J/mol×K	781.13	Joback Calculated Property
Cp,gas	658.79	J/mol×K	811.92	Joback Calculated Property
Cp,gas	670.38	J/mol×K	842.71	Joback Calculated Property
η	[0.0000290; 0.0095233]	Pa×s	[344.09; 657.97]
η	0.0095233	Pa×s	344.09	Joback Calculated Property
η	0.0019173	Pa×s	396.40	Joback Calculated Property
η	0.0005609	Pa×s	448.72	Joback Calculated Property
η	0.0002121	Pa×s	501.03	Joback Calculated Property
η	0.0000964	Pa×s	553.34	Joback Calculated Property
η	0.0000502	Pa×s	605.66	Joback Calculated Property
η	0.0000290	Pa×s	657.97	Joback 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.
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