Chemical Properties of Dimethyl 2-hydroxy-2-methylbutane-1,4-dioate (CAS 19020-62-3)

InChI

InChI=1S/C7H12O5/c1-7(10,6(9)12-3)4-5(8)11-2/h10H,4H2,1-3H3

InChI Key

GMSSNUSBKDUVFC-UHFFFAOYSA-N

Formula

C7H12O5

SMILES

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

Molecular Weight¹

176.17

CAS

19020-62-3

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-979.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.30	kJ/mol	Joback Calculated Property
ΔvapH°	72.69	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	0.10		Relay (1.0) Calculated Property
logPoct/wat	-0.526		Crippen Calculated Property
McVol	130.240	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[1087.00; 1115.50]
Inp	1115.50		NIST
Inp	1087.00		NIST
Inp	1087.00		NIST
Tboil	483.74	K	Relay (1.0) Calculated Property
Tfus	284.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[323.51; 375.21]	J/mol×K	[565.15; 746.44]
Cp,gas	323.51	J/mol×K	565.15	Joback Calculated Property
Cp,gas	333.47	J/mol×K	595.37	Joback Calculated Property
Cp,gas	342.89	J/mol×K	625.58	Joback Calculated Property
Cp,gas	351.76	J/mol×K	655.80	Joback Calculated Property
Cp,gas	360.10	J/mol×K	686.01	Joback Calculated Property
Cp,gas	367.92	J/mol×K	716.23	Joback Calculated Property
Cp,gas	375.21	J/mol×K	746.44	Joback Calculated Property
η	[0.0000744; 0.0128913]	Pa×s	[316.55; 565.15]
η	0.0128913	Pa×s	316.55	Joback Calculated Property
η	0.0033214	Pa×s	357.98	Joback Calculated Property
η	0.0011338	Pa×s	399.42	Joback Calculated Property
η	0.0004737	Pa×s	440.85	Joback Calculated Property
η	0.0002299	Pa×s	482.28	Joback Calculated Property
η	0.0001251	Pa×s	523.72	Joback Calculated Property
η	0.0000744	Pa×s	565.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2-hydroxy-2-methylbutane-1,4-dioate.

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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