Chemical Properties of Dioctyl malonate

InChI

InChI=1S/C19H36O4/c1-3-5-7-9-11-13-15-22-18(20)17-19(21)23-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChI Key

DTVMXQFQTCJMOR-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCCCCCCCOC(=O)CC(=O)OCCCCCCCC

Molecular Weight¹

328.49

Other Names

• Propanedioic acid, dioctyl ester

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

Physical Properties

Property	Value	Unit	Source
ω	1.0064		Relay (1.0) Calculated Property
ΔfH°gas	-1056.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.70	kJ/mol	Joback Calculated Property
ΔvapH°	103.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.184		Crippen Calculated Property
McVol	293.450	ml/mol	McGowan Calculated Property
Pc	1087.78	kPa	Joback Calculated Property
Inp	[2108.00; 2168.00]
Inp	2108.00		NIST
Inp	2168.00		NIST
Inp	2108.00		NIST
Inp	2168.00		NIST
Tboil	601.01	K	Relay (1.0) Calculated Property
Tc	779.37	K	Relay (1.0) Calculated Property
Tfus	247.17	K	Relay (1.0) Calculated Property
Vc	1.142	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[892.25; 986.00]	J/mol×K	[750.76; 925.45]
Cp,gas	892.25	J/mol×K	750.76	Joback Calculated Property
Cp,gas	910.30	J/mol×K	779.87	Joback Calculated Property
Cp,gas	927.36	J/mol×K	808.99	Joback Calculated Property
Cp,gas	943.45	J/mol×K	838.10	Joback Calculated Property
Cp,gas	958.58	J/mol×K	867.22	Joback Calculated Property
Cp,gas	972.76	J/mol×K	896.33	Joback Calculated Property
Cp,gas	986.00	J/mol×K	925.45	Joback Calculated Property
η	[0.0000488; 0.0017414]	Pa×s	[388.55; 750.76]
η	0.0017414	Pa×s	388.55	Joback Calculated Property
η	0.0006429	Pa×s	448.92	Joback Calculated Property
η	0.0003006	Pa×s	509.29	Joback Calculated Property
η	0.0001651	Pa×s	569.65	Joback Calculated Property
η	0.0001018	Pa×s	630.02	Joback Calculated Property
η	0.0000682	Pa×s	690.39	Joback Calculated Property
η	0.0000488	Pa×s	750.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dioctyl malonate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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