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

• 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	0.6277		Relay (1.0) Calculated Property
ΔfG°	-412.00	kJ/mol	Joback Calculated Property
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°	64.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	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	1992.98	kPa	Joback Calculated Property
Inp	1242.00		NIST
Tboil	497.96	K	Relay (1.0) Calculated Property
Tc	678.05	K	Relay (1.0) Calculated Property
Tfus	316.20	K	Relay (1.0) Calculated Property
Vc	0.780	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.98; 603.78]	J/mol×K	[620.08; 815.26]
Cp,gas	521.98	J/mol×K	620.08	Joback Calculated Property
Cp,gas	537.75	J/mol×K	652.61	Joback Calculated Property
Cp,gas	552.63	J/mol×K	685.14	Joback Calculated Property
Cp,gas	566.64	J/mol×K	717.67	Joback Calculated Property
Cp,gas	579.82	J/mol×K	750.20	Joback Calculated Property
Cp,gas	592.18	J/mol×K	782.73	Joback Calculated Property
Cp,gas	603.78	J/mol×K	815.26	Joback Calculated Property
η	[0.0001179; 0.0019720]	Pa×s	[374.16; 620.08]
η	0.0019720	Pa×s	374.16	Joback Calculated Property
η	0.0009780	Pa×s	415.15	Joback Calculated Property
η	0.0005501	Pa×s	456.13	Joback Calculated Property
η	0.0003403	Pa×s	497.12	Joback Calculated Property
η	0.0002264	Pa×s	538.11	Joback Calculated Property
η	0.0001596	Pa×s	579.09	Joback Calculated Property
η	0.0001179	Pa×s	620.08	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

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