Chemical Properties of Dimethyl 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-dioate

InChI

InChI=1S/C22H42O13/c1-25-21(23)19-34-17-15-32-13-11-30-9-7-28-5-3-27-4-6-29-8-10-31-12-14-33-16-18-35-20-22(24)26-2/h3-20H2,1-2H3

InChI Key

NYAFCYGDUIRDMW-UHFFFAOYSA-N

Formula

C22H42O13

SMILES

COC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)OC

Molecular Weight¹

514.56

• 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	1.4201		Relay (1.0) Calculated Property
ΔfH°gas	-2201.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.17	kJ/mol	Joback Calculated Property
ΔvapH°	125.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-0.30		Relay (1.0) Calculated Property
logPoct/wat	-0.518		Crippen Calculated Property
McVol	388.550	ml/mol	McGowan Calculated Property
Pc	829.07	kPa	Joback Calculated Property
Inp	[3436.20; 3436.20]
Inp	3436.20		NIST
Inp	3436.20		NIST
Tboil	730.38	K	Relay (1.0) Calculated Property
Tc	896.15	K	Relay (1.0) Calculated Property
Tfus	243.23	K	Relay (1.0) Calculated Property
Vc	1.478	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.50; 1337.05]	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			2.63208e+02
Coefficient B			1.41544e+00
Coefficient C			1.52000e-05
Coefficient D			-3.56800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	643.50	J/mol×K	273.00	Calculated Property
Cp,gas	750.06	J/mol×K	353.78	Calculated Property
Cp,gas	851.89	J/mol×K	434.56	Calculated Property
Cp,gas	947.84	J/mol×K	515.33	Calculated Property
Cp,gas	1036.79	J/mol×K	596.11	Calculated Property
Cp,gas	1117.61	J/mol×K	676.89	Calculated Property
Cp,gas	1189.18	J/mol×K	757.67	Calculated Property
Cp,gas	1250.36	J/mol×K	838.44	Calculated Property
Cp,gas	1300.02	J/mol×K	919.22	Calculated Property
Cp,gas	1337.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000265; 0.0000033]	Pa×s	[622.43; 894.61]	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			-1.73847e+01
Coefficient B			4.26021e+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.			622.43
Temperature range, max.			894.61
η	0.0000265	Pa×s	622.43	Calculated Property
η	0.0000193	Pa×s	652.67	Calculated Property
η	0.0000144	Pa×s	682.91	Calculated Property
η	0.0000111	Pa×s	713.16	Calculated Property
η	0.0000087	Pa×s	743.40	Calculated Property
η	0.0000069	Pa×s	773.64	Calculated Property
η	0.0000056	Pa×s	803.88	Calculated Property
η	0.0000047	Pa×s	834.12	Calculated Property
η	0.0000039	Pa×s	864.37	Calculated Property
η	0.0000033	Pa×s	894.61	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-dioate.

Sources

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

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