Di-t-butyl malonate

InChI

InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3

InChI Key

CLPHAYNBNTVRDI-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

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

Molecular Weight¹

216.28

Other Names

bis(1,1-dimethylethyl) malonate
bis(1,1-dimethylethyl) propanedioate
di-t-Butylmalonate
di-tert-butyl malonate
malonic acid, di-tert-butyl ester
propanedioic acid, bis(1,1-dimethylethyl) ester
tert-butyl malonate

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).
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-949.02	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	[60.41; 66.29]	kJ/mol
Δ_fusH°	66.29	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	66.07	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	65.73	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	65.39	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	65.17	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	64.83	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	64.60	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	64.37	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	64.14	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.80	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.58	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.35	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.12	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.90	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.78	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.45	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.77	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.44	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.10	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	60.76	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	60.41	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_vapH°	68.42	kJ/mol	Relay (1.0) Calculated Property
log₁₀WS	-2.35		Relay (1.0) Calculated Property
logP_oct/wat	2.060		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
P_c	2018.13	kPa	Joback Calculated Property
T_boil	484.37	K	Relay (1.0) Calculated Property
T_c	674.21	K	Relay (1.0) Calculated Property
T_fus	268.68	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
C_p,gas	[459.93; 542.32]	J/mol×K	[561.26; 754.15]

C_p,gas	459.93	J/mol×K	561.26	Joback Calculated Property
C_p,gas	475.96	J/mol×K	593.41	Joback Calculated Property
C_p,gas	491.02	J/mol×K	625.56	Joback Calculated Property
C_p,gas	505.16	J/mol×K	657.70	Joback Calculated Property
C_p,gas	518.41	J/mol×K	689.85	Joback Calculated Property
C_p,gas	530.78	J/mol×K	722.00	Joback Calculated Property
C_p,gas	542.32	J/mol×K	754.15	Joback Calculated Property
η	[0.0001219; 0.0063460]	Pa×s	[303.23; 561.26]

η	0.0063460	Pa×s	303.23	Joback Calculated Property
η	0.0021816	Pa×s	346.24	Joback Calculated Property
η	0.0009496	Pa×s	389.24	Joback Calculated Property
η	0.0004877	Pa×s	432.25	Joback Calculated Property
η	0.0002826	Pa×s	475.25	Joback Calculated Property
η	0.0001793	Pa×s	518.25	Joback Calculated Property
η	0.0001219	Pa×s	561.26	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	383.70	K	2.90	NIST

Similar Compounds

PROPANEDIOIC ACID, BIS(1-METHYLETHYL) ESTER.

Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester.

Propanoic acid, 1,1-dimethylethyl ester.

Propanoic acid, 3-chloro, 1,1-dimethylethyl ester.

Acetic acid, bromo-, 1,1-dimethylethyl ester.

Acetic acid, chloro-, 1,1-dimethylethyl ester.

Propanedioic acid, bis(1-methylpropyl) ester.

Find more compounds similar to Di-t-butyl malonate.

Sources

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Chemical Properties of Di-t-butyl malonate

Physical Properties

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Sources