Chemical Properties of 1,3,6,9,12,14,17,20,22,25,28,31-Dodecaoxacyclotritricontane (CAS 74485-43-1)

InChI

InChI=1S/C21H42O12/c1-3-23-7-13-28-19-29-15-9-25-5-6-26-10-16-31-21-33-18-12-27-11-17-32-20-30-14-8-24-4-2-22-1/h1-21H2

InChI Key

PXHRDVYKHCZYCE-UHFFFAOYSA-N

Formula

C21H42O12

SMILES

C1COCCOCOCCOCCOCCOCOCCOCCOCOCCOCCO1

Molecular Weight¹

486.55

CAS

74485-43-1

• 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).
• 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	[486.83; 1363.44]	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			-1.81600e+01
Coefficient B			1.85220e+00
Coefficient C			1.64600e-04
Coefficient D			-6.35200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	486.83	J/mol×K	273.00	Calculated Property
Cp,gas	629.58	J/mol×K	353.78	Calculated Property
Cp,gas	765.68	J/mol×K	434.56	Calculated Property
Cp,gas	893.12	J/mol×K	515.33	Calculated Property
Cp,gas	1009.89	J/mol×K	596.11	Calculated Property
Cp,gas	1113.99	J/mol×K	676.89	Calculated Property
Cp,gas	1203.40	J/mol×K	757.67	Calculated Property
Cp,gas	1276.12	J/mol×K	838.44	Calculated Property
Cp,gas	1330.14	J/mol×K	919.22	Calculated Property
Cp,gas	1363.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000016; 2.3607729e-10]	Pa×s	[561.85; 1009.18]	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			-3.32087e+01
Coefficient B			1.11432e+04
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.			561.85
Temperature range, max.			1009.18
η	0.0000016	Pa×s	561.85	Calculated Property
η	0.0000003	Pa×s	611.55	Calculated Property
η	7.8738434e-08	Pa×s	661.26	Calculated Property
η	2.4240672e-08	Pa×s	710.96	Calculated Property
η	8.7049537e-09	Pa×s	760.66	Calculated Property
η	3.5444508e-09	Pa×s	810.37	Calculated Property
η	1.6011532e-09	Pa×s	860.07	Calculated Property
η	7.8890778e-10	Pa×s	909.78	Calculated Property
η	4.1828146e-10	Pa×s	959.48	Calculated Property
η	2.3607729e-10	Pa×s	1009.18	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,6,9,12,14,17,20,22,25,28,31-Dodecaoxacyclotritricontane.

Sources

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

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