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

InChI

InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2

InChI Key

DTPCFIHYWYONMD-UHFFFAOYSA-N

Formula

C20H42O11

SMILES

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

Molecular Weight¹

458.54

Other Names

• 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)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	-1857.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.42	kJ/mol	Joback Calculated Property
ΔvapH°	134.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	0.17		Relay (1.0) Calculated Property
logPoct/wat	-0.880		Crippen Calculated Property
McVol	357.230	ml/mol	McGowan Calculated Property
Pc	1035.90	kPa	Joback Calculated Property
Inp	[3226.10; 3226.10]
Inp	3226.10		NIST
Inp	3226.10		NIST
Tboil	738.94	K	Relay (1.0) Calculated Property
Tc	964.55	K	Relay (1.0) Calculated Property
Tfus	246.79	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	[593.40; 1254.99]	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			2.24790e+02
Coefficient B			1.40300e+00
Coefficient C			-1.26000e-04
Coefficient D			-2.46800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	593.40	J/mol×K	273.00	Calculated Property
Cp,gas	694.44	J/mol×K	353.78	Calculated Property
Cp,gas	790.43	J/mol×K	434.56	Calculated Property
Cp,gas	880.56	J/mol×K	515.33	Calculated Property
Cp,gas	964.08	J/mol×K	596.11	Calculated Property
Cp,gas	1040.19	J/mol×K	676.89	Calculated Property
Cp,gas	1108.12	J/mol×K	757.67	Calculated Property
Cp,gas	1167.08	J/mol×K	838.44	Calculated Property
Cp,gas	1216.30	J/mol×K	919.22	Calculated Property
Cp,gas	1254.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000057; 0.0000002]	Pa×s	[636.87; 937.75]	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			-2.26419e+01
Coefficient B			6.73163e+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.			636.87
Temperature range, max.			937.75
η	0.0000057	Pa×s	636.87	Calculated Property
η	0.0000034	Pa×s	670.30	Calculated Property
η	0.0000021	Pa×s	703.73	Calculated Property
η	0.0000014	Pa×s	737.16	Calculated Property
η	0.0000009	Pa×s	770.59	Calculated Property
η	0.0000006	Pa×s	804.03	Calculated Property
η	0.0000005	Pa×s	837.46	Calculated Property
η	0.0000003	Pa×s	870.89	Calculated Property
η	0.0000003	Pa×s	904.32	Calculated Property
η	0.0000002	Pa×s	937.75	Calculated Property

Similar Compounds

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

Sources

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

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