Chemical Properties of Di-tert-butyl butanedioate

InChI

InChI=1S/C12H22O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H2,1-6H3

InChI Key

GOORECODRBZTKF-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CC(C)(C)OC(=O)CCC(=O)OC(C)(C)C

Molecular Weight¹

230.30

Other Names

• butanedioic acid, 1,4-bis(1,1-dimethylethyl) ester
• di-tert-butyl 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-958.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[61.69; 65.59]	kJ/mol
ΔfusH°	65.59	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	65.22	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	64.61	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	64.37	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	64.12	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.88	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.64	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.39	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.15	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.91	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.91	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.66	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.42	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.18	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.93	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.69	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔvapH°	65.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.67		Relay (1.0) Calculated Property
logPoct/wat	2.450		Crippen Calculated Property
McVol	194.820	ml/mol	McGowan Calculated Property
Pc	1854.71	kPa	Joback Calculated Property
Inp	1242.00		NIST
Tboil	497.96	K	Relay (1.0) Calculated Property
Tc	681.24	K	Relay (1.0) Calculated Property
Tfus	309.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[509.83; 594.82]	J/mol×K	[584.14; 774.66]
Cp,gas	509.83	J/mol×K	584.14	Joback Calculated Property
Cp,gas	526.34	J/mol×K	615.89	Joback Calculated Property
Cp,gas	541.87	J/mol×K	647.65	Joback Calculated Property
Cp,gas	556.45	J/mol×K	679.40	Joback Calculated Property
Cp,gas	570.12	J/mol×K	711.16	Joback Calculated Property
Cp,gas	582.90	J/mol×K	742.91	Joback Calculated Property
Cp,gas	594.82	J/mol×K	774.66	Joback Calculated Property
η	[0.0001042; 0.0054904]	Pa×s	[314.50; 584.14]
η	0.0054904	Pa×s	314.50	Joback Calculated Property
η	0.0018763	Pa×s	359.44	Joback Calculated Property
η	0.0008140	Pa×s	404.38	Joback Calculated Property
η	0.0004174	Pa×s	449.32	Joback Calculated Property
η	0.0002416	Pa×s	494.26	Joback Calculated Property
η	0.0001532	Pa×s	539.20	Joback Calculated Property
η	0.0001042	Pa×s	584.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Di-tert-butyl butanedioate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
• 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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