Chemical Properties of 2,2-Difluoroethanol

InChI

InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2

InChI Key

VOGSDFLJZPNWHY-UHFFFAOYSA-N

Formula

C2H4F2O

SMILES

OCC(F)F

Molecular Weight¹

82.05

Other Names

• Difluoroethanol
• ethanol, 2,2-difluoro-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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
PAff	727.40	kJ/mol	NIST
BasG	697.00	kJ/mol	NIST
ΔcH°liquid	-1028.20	kJ/mol	NIST
ΔfH°gas	-653.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.66	kJ/mol	Joback Calculated Property
logPoct/wat	0.244		Crippen Calculated Property
McVol	48.450	ml/mol	McGowan Calculated Property
Pc	5102.04	kPa	Joback Calculated Property
Inp	481.00		NIST
Tboil	[368.50; 368.70]	K
Tboil	368.50 ± 0.50	K	NIST
Tboil	368.50 ± 0.50	K	NIST
Tboil	368.70	K	NIST
Tc	545.42	K	Relay (1.0) Calculated Property
Tfus	245.05	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[76.49; 155.86]	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			1.68610e+01
Coefficient B			2.57300e-01
Coefficient C			-1.51400e-04
Coefficient D			3.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	76.49	J/mol×K	273.00	Calculated Property
Cp,gas	90.40	J/mol×K	353.78	Calculated Property
Cp,gas	102.80	J/mol×K	434.56	Calculated Property
Cp,gas	113.78	J/mol×K	515.33	Calculated Property
Cp,gas	123.45	J/mol×K	596.11	Calculated Property
Cp,gas	131.92	J/mol×K	676.89	Calculated Property
Cp,gas	139.29	J/mol×K	757.67	Calculated Property
Cp,gas	145.67	J/mol×K	838.44	Calculated Property
Cp,gas	151.16	J/mol×K	919.22	Calculated Property
Cp,gas	155.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Difluoroethanol.

Mixtures

• 2,2-Difluoroethanol + Water
• 1-Octanol + 2,2-Difluoroethanol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Henry s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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