Chemical Properties of 1,1,1-Trifluoro-2-propanol (CAS 374-01-6)

InChI

InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3

InChI Key

GILIYJDBJZWGBG-UHFFFAOYSA-N

Formula

C3H5F3O

SMILES

CC(O)C(F)(F)F

Molecular Weight¹

114.07

CAS

374-01-6

Other Names

• 1,1,1-Trifluoroisopropanol
• 1,1,1-Trifluoropropan-2-ol
• 1,1,1-Trifluoropropanol-2
• 1-Methyl-2,2,2-trifluoroethanol
• 2-Propanol, 1,1,1-trifluoro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor 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

Property	Value	Unit	Source
ΔfG°	-746.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-859.84	kJ/mol	Joback Calculated Property
ΔfusH°	5.92	kJ/mol	Joback Calculated Property
ΔvapH°	[44.79; 44.80]	kJ/mol
ΔvapH°	44.79	kJ/mol	NIST
ΔvapH°	44.80	kJ/mol	NIST
log10WS	0.30		Aq. Sol...
logPoct/wat	0.930		Crippen Calculated Property
McVol	64.310	ml/mol	McGowan Calculated Property
Pc	4316.89	kPa	Joback Calculated Property
Tboil	354.36	K	Joback Calculated Property
Tc	504.33	K	Joback Calculated Property
Tfus	173.58	K	Joback Calculated Property
Vc	0.260	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.15; 160.15]	J/mol×K	[354.36; 504.33]
Cp,gas	127.15	J/mol×K	354.36	Joback Calculated Property
Cp,gas	133.41	J/mol×K	379.36	Joback Calculated Property
Cp,gas	139.35	J/mol×K	404.35	Joback Calculated Property
Cp,gas	144.98	J/mol×K	429.35	Joback Calculated Property
Cp,gas	150.32	J/mol×K	454.34	Joback Calculated Property
Cp,gas	155.37	J/mol×K	479.34	Joback Calculated Property
Cp,gas	160.15	J/mol×K	504.33	Joback Calculated Property
ΔvapH	44.20	kJ/mol	312.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[271.50; 366.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58046e+01
Coefficient B			-3.07220e+03
Coefficient C			-7.35100e+01
Temperature range, min.			271.50
Temperature range, max.			366.29
Pvap	1.33	kPa	271.50	Calculated Property
Pvap	2.92	kPa	282.03	Calculated Property
Pvap	5.93	kPa	292.56	Calculated Property
Pvap	11.28	kPa	303.10	Calculated Property
Pvap	20.29	kPa	313.63	Calculated Property
Pvap	34.73	kPa	324.16	Calculated Property
Pvap	56.94	kPa	334.69	Calculated Property
Pvap	89.83	kPa	345.23	Calculated Property
Pvap	136.98	kPa	355.76	Calculated Property
Pvap	202.64	kPa	366.29	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1-Trifluoro-2-propanol.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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