Chemical Properties of BUTANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, ETHYL ESTER

InChI

InChI=1S/C8H16O3/c1-5-11-7(10)8(3,4)6(2)9/h6,9H,5H2,1-4H3

InChI Key

DPZVLAWBYJYWFX-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

CCOC(=O)C(C)(C)C(C)O

Molecular Weight¹

160.21

Other Names

• Ethyl 3-hydroxy-2,2-dimethylbutanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5876		Relay (1.0) Calculated Property
ΔfH°gas	-714.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.00	kJ/mol	Joback Calculated Property
ΔvapH°	67.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
logPoct/wat	0.956		Crippen Calculated Property
McVol	136.890	ml/mol	McGowan Calculated Property
Pc	2884.30	kPa	Joback Calculated Property
I	[1699.00; 1699.00]
I	1699.00		NIST
I	1699.00		NIST
Tboil	454.68	K	Relay (1.0) Calculated Property
Tc	656.50	K	Relay (1.0) Calculated Property
Tfus	270.12	K	Relay (1.0) Calculated Property
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[332.94; 395.96]	J/mol×K	[529.37; 707.51]
Cp,gas	332.94	J/mol×K	529.37	Joback Calculated Property
Cp,gas	344.89	J/mol×K	559.06	Joback Calculated Property
Cp,gas	356.24	J/mol×K	588.75	Joback Calculated Property
Cp,gas	367.00	J/mol×K	618.44	Joback Calculated Property
Cp,gas	377.20	J/mol×K	648.13	Joback Calculated Property
Cp,gas	386.85	J/mol×K	677.82	Joback Calculated Property
Cp,gas	395.96	J/mol×K	707.51	Joback Calculated Property
η	[0.0001001; 0.0513173]	Pa×s	[270.49; 529.37]
η	0.0513173	Pa×s	270.49	Joback Calculated Property
η	0.0088701	Pa×s	313.64	Joback Calculated Property
η	0.0023441	Pa×s	356.78	Joback Calculated Property
η	0.0008255	Pa×s	399.93	Joback Calculated Property
η	0.0003562	Pa×s	443.08	Joback Calculated Property
η	0.0001785	Pa×s	486.22	Joback Calculated Property
η	0.0001001	Pa×s	529.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to BUTANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, ETHYL ESTER.

Sources

• Cheméo Relay (1.0)
• 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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