Chemical Properties of 1H,1H,11H-Eicosafluoro-1-undecanol (CAS 307-70-0)

InChI

InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2

InChI Key

GJYLSFCFHFUODO-UHFFFAOYSA-N

Formula

C11H4F20O

SMILES

OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

532.12

CAS

307-70-0

Other Names

• 1H,1H,11H-Eicosafluoroundecanol-1
• 1,1,11-Trihydroperfluoroundecanol
• 1-Undecanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-
• 1-Undecanol, 1H,1H,11H-eicosafluoro-
• 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol
• 1,1,11H-perfluoroundecanol
• 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.68	kJ/mol	Joback Calculated Property
ΔvapH°	85.78	kJ/mol	Relay (1.0) Calculated Property
IE	10.88	eV	Relay (1.0) Calculated Property
logPoct/wat	5.962		Crippen Calculated Property
McVol	207.120	ml/mol	McGowan Calculated Property
Inp	[1065.00; 1085.00]
Inp	1085.00		NIST
Inp	1073.00		NIST
Inp	1065.00		NIST
Tboil	495.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[401.85; 760.66]	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			-1.01939e+02
Coefficient B			2.45690e+00
Coefficient C			-2.48240e-03
Coefficient D			8.88100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.85	J/mol×K	273.00	Calculated Property
Cp,gas	495.89	J/mol×K	353.78	Calculated Property
Cp,gas	569.83	J/mol×K	434.56	Calculated Property
Cp,gas	626.48	J/mol×K	515.33	Calculated Property
Cp,gas	668.65	J/mol×K	596.11	Calculated Property
Cp,gas	699.16	J/mol×K	676.89	Calculated Property
Cp,gas	720.80	J/mol×K	757.67	Calculated Property
Cp,gas	736.40	J/mol×K	838.44	Calculated Property
Cp,gas	748.75	J/mol×K	919.22	Calculated Property
Cp,gas	760.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H,1H,11H-Eicosafluoro-1-undecanol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.