Chemical Properties of Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl ester (CAS 43064-52-4)

InChI

InChI=1S/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3

InChI Key

OQIDMHZJNDYZLB-UHFFFAOYSA-N

Formula

C9H16O5

SMILES

COC(=O)CC(O)(C(=O)OC)C(C)C

Molecular Weight¹

204.22

CAS

43064-52-4

Other Names

• 2-Hydroxy-2-isopropyl-succinic acid dimethyl ester
• dimethyl 2-hydroxy-2-(isopropyl)succinate

• 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).
• 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
ΔfH°gas	-996.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.96	kJ/mol	Joback Calculated Property
ΔvapH°	75.10	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.110		Crippen Calculated Property
McVol	158.420	ml/mol	McGowan Calculated Property
Inp	[1247.00; 1247.00]
Inp	1247.00		NIST
Inp	1247.00		NIST
Tboil	498.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[417.91; 478.15]	J/mol×K	[610.47; 791.69]
Cp,gas	417.91	J/mol×K	610.47	Joback Calculated Property
Cp,gas	429.56	J/mol×K	640.67	Joback Calculated Property
Cp,gas	440.56	J/mol×K	670.88	Joback Calculated Property
Cp,gas	450.90	J/mol×K	701.08	Joback Calculated Property
Cp,gas	460.61	J/mol×K	731.28	Joback Calculated Property
Cp,gas	469.69	J/mol×K	761.49	Joback Calculated Property
Cp,gas	478.15	J/mol×K	791.69	Joback Calculated Property
η	[0.0000451; 0.0134299]	Pa×s	[324.09; 610.47]
η	0.0134299	Pa×s	324.09	Joback Calculated Property
η	0.0028257	Pa×s	371.82	Joback Calculated Property
η	0.0008476	Pa×s	419.55	Joback Calculated Property
η	0.0003252	Pa×s	467.28	Joback Calculated Property
η	0.0001490	Pa×s	515.01	Joback Calculated Property
η	0.0000779	Pa×s	562.74	Joback Calculated Property
η	0.0000451	Pa×s	610.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl 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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