Chemical Properties of 1,3,6,9,12,15,17,20,23,26,29,32-Dodecaoxacyclo-tetratricontane (CAS 74485-52-2)

InChI

InChI=1S/C22H44O12/c1-3-24-5-9-27-13-17-31-21-33-19-15-29-11-7-26-8-12-30-16-20-34-22-32-18-14-28-10-6-25-4-2-23-1/h1-22H2

InChI Key

WYXQDRKSZZXFCT-UHFFFAOYSA-N

Formula

C22H44O12

SMILES

C1COCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCO1

Molecular Weight¹

500.58

CAS

74485-52-2

• 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	[503.16; 1416.81]	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			-2.41900e+01
Coefficient B			1.93760e+00
Coefficient C			1.56600e-04
Coefficient D			-6.53200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.16	J/mol×K	273.00	Calculated Property
Cp,gas	651.97	J/mol×K	353.78	Calculated Property
Cp,gas	793.77	J/mol×K	434.56	Calculated Property
Cp,gas	926.51	J/mol×K	515.33	Calculated Property
Cp,gas	1048.12	J/mol×K	596.11	Calculated Property
Cp,gas	1156.52	J/mol×K	676.89	Calculated Property
Cp,gas	1249.66	J/mol×K	757.67	Calculated Property
Cp,gas	1325.46	J/mol×K	838.44	Calculated Property
Cp,gas	1381.87	J/mol×K	919.22	Calculated Property
Cp,gas	1416.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000009; 1.1886131e-10]	Pa×s	[569.60; 1029.26]	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			-3.39782e+01
Coefficient B			1.14507e+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.			569.60
Temperature range, max.			1029.26
η	0.0000009	Pa×s	569.60	Calculated Property
η	0.0000002	Pa×s	620.67	Calculated Property
η	4.4309922e-08	Pa×s	671.75	Calculated Property
η	1.3286476e-08	Pa×s	722.82	Calculated Property
η	4.6704860e-09	Pa×s	773.89	Calculated Property
η	1.8686777e-09	Pa×s	824.97	Calculated Property
η	8.3194344e-10	Pa×s	876.04	Calculated Property
η	4.0492451e-10	Pa×s	927.12	Calculated Property
η	2.1247609e-10	Pa×s	978.19	Calculated Property
η	1.1886131e-10	Pa×s	1029.26	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,6,9,12,15,17,20,23,26,29,32-Dodecaoxacyclo-tetratricontane.

Sources

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

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