Chemical Properties of PROPANEDIOIC ACID, BIS(1-METHYLETHYL) ESTER

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

Other Names

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

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-901.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[61.21; 64.81]	kJ/mol
ΔfusH°	64.81	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	64.49	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	64.20	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.90	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.60	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.30	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	63.00	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.70	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.40	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.20	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	62.09	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.90	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.81	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.60	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.50	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.40	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	61.21	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔvapH°	66.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-1.70		Relay (1.0) Calculated Property
logPoct/wat	1.280		Crippen Calculated Property
McVol	152.550	ml/mol	McGowan Calculated Property
Pc	2365.67	kPa	Joback Calculated Property
Inp	[1108.00; 1116.00]
Inp	1115.00		NIST
Inp	1113.00		NIST
Inp	1111.00		NIST
Inp	1108.00		NIST
Inp	1116.00		NIST
Tboil	451.84	K	Relay (1.0) Calculated Property
Tc	644.06	K	Relay (1.0) Calculated Property
Tfus	232.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[359.17; 431.21]	J/mol×K	[521.08; 704.72]
Cp,gas	359.17	J/mol×K	521.08	Joback Calculated Property
Cp,gas	372.66	J/mol×K	551.69	Joback Calculated Property
Cp,gas	385.57	J/mol×K	582.29	Joback Calculated Property
Cp,gas	397.88	J/mol×K	612.90	Joback Calculated Property
Cp,gas	409.59	J/mol×K	643.51	Joback Calculated Property
Cp,gas	420.70	J/mol×K	674.12	Joback Calculated Property
Cp,gas	431.21	J/mol×K	704.72	Joback Calculated Property
η	[0.0001610; 0.0121598]	Pa×s	[245.85; 521.08]
η	0.0121598	Pa×s	245.85	Joback Calculated Property
η	0.0033557	Pa×s	291.72	Joback Calculated Property
η	0.0013140	Pa×s	337.59	Joback Calculated Property
η	0.0006439	Pa×s	383.46	Joback Calculated Property
η	0.0003675	Pa×s	429.34	Joback Calculated Property
η	0.0002337	Pa×s	475.21	Joback Calculated Property
η	0.0001610	Pa×s	521.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to PROPANEDIOIC ACID, BIS(1-METHYLETHYL) ESTER.

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.
These property values are available through the Cheméo API. A free account gives you an access key.