Chemical Properties of Dioctyl oxalate (CAS 20760-45-6)

InChI

InChI=1S/C18H34O4/c1-3-5-7-9-11-13-15-21-17(19)18(20)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChI Key

PEJVLWCOQVHCAF-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCCCCCCOC(=O)C(=O)OCCCCCCCC

Molecular Weight¹

314.46

CAS

20760-45-6

• 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.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.00; 964.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.73440e+01
Coefficient B			1.60424e+00
Coefficient C			-7.66200e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.00	J/mol×K	273.00	Calculated Property
Cp,gas	512.92	J/mol×K	353.78	Calculated Property
Cp,gas	597.07	J/mol×K	434.56	Calculated Property
Cp,gas	672.74	J/mol×K	515.33	Calculated Property
Cp,gas	740.19	J/mol×K	596.11	Calculated Property
Cp,gas	799.72	J/mol×K	676.89	Calculated Property
Cp,gas	851.60	J/mol×K	757.67	Calculated Property
Cp,gas	896.12	J/mol×K	838.44	Calculated Property
Cp,gas	933.55	J/mol×K	919.22	Calculated Property
Cp,gas	964.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019774; 0.0001020]	Pa×s	[377.28; 630.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.36071e+01
Coefficient B			2.78476e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			377.28
Temperature range, max.			630.54
η	0.0019774	Pa×s	377.28	Calculated Property
η	0.0011847	Pa×s	405.42	Calculated Property
η	0.0007585	Pa×s	433.56	Calculated Property
η	0.0005128	Pa×s	461.70	Calculated Property
η	0.0003626	Pa×s	489.84	Calculated Property
η	0.0002663	Pa×s	517.98	Calculated Property
η	0.0002019	Pa×s	546.12	Calculated Property
η	0.0001572	Pa×s	574.26	Calculated Property
η	0.0001254	Pa×s	602.40	Calculated Property
η	0.0001020	Pa×s	630.54	Calculated Property

Similar Compounds

Find more compounds similar to Dioctyl oxalate.

Sources

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

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