Malonic acid diisopropyl ester (CAS 13195-64-7)

InChI

InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3

InChI Key

QRVSDVDFJFKYKA-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

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

Molecular Weight¹

188.22

CAS

13195-64-7

Other Names

Propanedioic acid, bis(1-methylethyl) ester
diisopropyl malonate
dipropan-2-yl propanedioate
propanedioic acid, 1,3-bis(1-methylethyl) ester

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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5750		Relay (1.0) Calculated Property
Δ_fG°	-447.82	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-901.27	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	[61.21; 64.81]	kJ/mol
Δ_fusH°	64.81	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	64.49	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	64.20	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.90	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.60	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.30	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	63.00	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.70	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.40	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.20	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	62.09	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.90	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.81	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.60	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.50	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.40	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_fusH°	61.21	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
Δ_vapH°	65.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log₁₀WS	-1.70		Relay (1.0) Calculated Property
logP_oct/wat	1.280		Crippen Calculated Property
McVol	152.550	ml/mol	McGowan Calculated Property
P_c	2566.29	kPa	Joback Calculated Property
I_np	[1108.00; 1116.00]
I_np	1115.00		NIST
I_np	1113.00		NIST
I_np	1111.00		NIST
I_np	1108.00		NIST
I_np	1116.00		NIST
T_boil	451.84	K	Relay (1.0) Calculated Property
T_c	641.12	K	Relay (1.0) Calculated Property
T_fus	234.81	K	Relay (1.0) Calculated Property
V_c	0.596	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[368.76; 438.48]	J/mol×K	[557.02; 745.99]

C_p,gas	368.76	J/mol×K	557.02	Joback Calculated Property
C_p,gas	381.74	J/mol×K	588.51	Joback Calculated Property
C_p,gas	394.19	J/mol×K	620.01	Joback Calculated Property
C_p,gas	406.09	J/mol×K	651.50	Joback Calculated Property
C_p,gas	417.44	J/mol×K	683.00	Joback Calculated Property
C_p,gas	428.24	J/mol×K	714.49	Joback Calculated Property
C_p,gas	438.48	J/mol×K	745.99	Joback Calculated Property
η	[0.0001840; 0.0033834]	Pa×s	[305.51; 557.02]

η	0.0033834	Pa×s	305.51	Joback Calculated Property
η	0.0015540	Pa×s	347.43	Joback Calculated Property
η	0.0008440	Pa×s	389.35	Joback Calculated Property
η	0.0005161	Pa×s	431.26	Joback Calculated Property
η	0.0003443	Pa×s	473.18	Joback Calculated Property
η	0.0002454	Pa×s	515.10	Joback Calculated Property
η	0.0001840	Pa×s	557.02	Joback Calculated Property

Similar Compounds

Propanedioic acid, bis(1-methylpropyl) ester.

Propanedioic acid, oxo-, bis(1-methylethyl) ester.

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

Malonic acid, di(3,3-dimethylbut-2-yl) ester.

Find more compounds similar to Malonic acid diisopropyl ester.

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Chemical Properties of Malonic acid diisopropyl ester (CAS 13195-64-7)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources