di-tert-Butyl malonate (CAS 541-16-2)

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

216.27

CAS

541-16-2

Other Names

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

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).
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).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5809		Relay (1.0) Calculated Property
Δ_fG°	-420.42	kJ/mol	Joback Calculated Property
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°	67.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	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	2175.46	kPa	Joback Calculated Property
T_boil	484.37	K	Relay (1.0) Calculated Property
T_c	670.73	K	Relay (1.0) Calculated Property
T_fus	273.33	K	Relay (1.0) Calculated Property
V_c	0.718	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[471.37; 550.41]	J/mol×K	[597.20; 794.92]

C_p,gas	471.37	J/mol×K	597.20	Joback Calculated Property
C_p,gas	486.63	J/mol×K	630.15	Joback Calculated Property
C_p,gas	501.01	J/mol×K	663.11	Joback Calculated Property
C_p,gas	514.56	J/mol×K	696.06	Joback Calculated Property
C_p,gas	527.28	J/mol×K	729.01	Joback Calculated Property
C_p,gas	539.22	J/mol×K	761.97	Joback Calculated Property
C_p,gas	550.41	J/mol×K	794.92	Joback Calculated Property
η	[0.0001359; 0.0021736]	Pa×s	[362.89; 597.20]

η	0.0021736	Pa×s	362.89	Joback Calculated Property
η	0.0010941	Pa×s	401.94	Joback Calculated Property
η	0.0006219	Pa×s	440.99	Joback Calculated Property
η	0.0003876	Pa×s	480.05	Joback Calculated Property
η	0.0002593	Pa×s	519.10	Joback Calculated Property
η	0.0001836	Pa×s	558.15	Joback Calculated Property
η	0.0001359	Pa×s	597.20	Joback Calculated Property

Pressure Dependent Properties

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

Similar Compounds

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-tert-Butyl malonate.

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Chemical Properties of di-tert-Butyl malonate (CAS 541-16-2)

Physical Properties

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Sources