Chemical Properties of 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol (CAS 6809-70-7)

InChI

InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2

InChI Key

PSVXZQVXSXSQRO-UHFFFAOYSA-N

Formula

C22H46O12

SMILES

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

Molecular Weight¹

502.59

CAS

6809-70-7

Other Names

• 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2018.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.79	kJ/mol	Joback Calculated Property
ΔvapH°	141.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	0.15		Relay (1.0) Calculated Property
logPoct/wat	-0.863		Crippen Calculated Property
McVol	391.280	ml/mol	McGowan Calculated Property
Pc	909.43	kPa	Joback Calculated Property
Inp	[3499.20; 3499.20]
Inp	3499.20		NIST
Inp	3499.20		NIST
Tboil	763.37	K	Relay (1.0) Calculated Property
Tc	988.61	K	Relay (1.0) Calculated Property
Tfus	240.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.23; 1376.67]	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			2.48472e+02
Coefficient B			1.52980e+00
Coefficient C			-1.23800e-04
Coefficient D			-2.77800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	651.23	J/mol×K	273.00	Calculated Property
Cp,gas	761.89	J/mol×K	353.78	Calculated Property
Cp,gas	867.08	J/mol×K	434.56	Calculated Property
Cp,gas	965.93	J/mol×K	515.33	Calculated Property
Cp,gas	1057.57	J/mol×K	596.11	Calculated Property
Cp,gas	1141.10	J/mol×K	676.89	Calculated Property
Cp,gas	1215.65	J/mol×K	757.67	Calculated Property
Cp,gas	1280.35	J/mol×K	838.44	Calculated Property
Cp,gas	1334.32	J/mol×K	919.22	Calculated Property
Cp,gas	1376.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000023; 6.7920109e-08]	Pa×s	[681.64; 1031.15]	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			-2.33342e+01
Coefficient B			7.04204e+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.			681.64
Temperature range, max.			1031.15
η	0.0000023	Pa×s	681.64	Calculated Property
η	0.0000013	Pa×s	720.47	Calculated Property
η	0.0000008	Pa×s	759.31	Calculated Property
η	0.0000005	Pa×s	798.14	Calculated Property
η	0.0000003	Pa×s	836.98	Calculated Property
η	0.0000002	Pa×s	875.81	Calculated Property
η	0.0000002	Pa×s	914.65	Calculated Property
η	0.0000001	Pa×s	953.48	Calculated Property
η	8.8730133e-08	Pa×s	992.32	Calculated Property
η	6.7920109e-08	Pa×s	1031.15	Calculated Property

Similar Compounds

Find more compounds similar to 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol.

Sources

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

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