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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-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	0.7143		Relay (1.0) Calculated Property
ΔfG°	-579.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-996.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.79	kJ/mol	Joback Calculated Property
ΔvapH°	73.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-0.62		Relay (1.0) Calculated Property
logPoct/wat	0.110		Crippen Calculated Property
McVol	158.420	ml/mol	McGowan Calculated Property
Pc	2856.62	kPa	Joback Calculated Property
Inp	[1247.00; 1247.00]
Inp	1247.00		NIST
Inp	1247.00		NIST
Tboil	498.30	K	Relay (1.0) Calculated Property
Tc	697.19	K	Relay (1.0) Calculated Property
Tfus	302.36	K	Relay (1.0) Calculated Property
Vc	0.565	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[425.23; 483.74]	J/mol×K	[646.41; 832.31]
Cp,gas	425.23	J/mol×K	646.41	Joback Calculated Property
Cp,gas	436.45	J/mol×K	677.39	Joback Calculated Property
Cp,gas	447.07	J/mol×K	708.38	Joback Calculated Property
Cp,gas	457.10	J/mol×K	739.36	Joback Calculated Property
Cp,gas	466.55	J/mol×K	770.34	Joback Calculated Property
Cp,gas	475.42	J/mol×K	801.33	Joback Calculated Property
Cp,gas	483.74	J/mol×K	832.31	Joback Calculated Property
η	[0.0000467; 0.0028806]	Pa×s	[383.75; 646.41]
η	0.0028806	Pa×s	383.75	Joback Calculated Property
η	0.0010196	Pa×s	427.53	Joback Calculated Property
η	0.0004377	Pa×s	471.30	Joback Calculated Property
η	0.0002169	Pa×s	515.08	Joback Calculated Property
η	0.0001200	Pa×s	558.86	Joback Calculated Property
η	0.0000724	Pa×s	602.63	Joback Calculated Property
η	0.0000467	Pa×s	646.41	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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