Chemical Properties of Crotyl alcohol, pentafluoropropionate

InChI

InChI=1S/C7H7F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-3H,4H2,1H3/b3-2+

InChI Key

XQTSJZNHOJRYQC-NSCUHMNNSA-N

Formula

C7H7F5O2

SMILES

CC=CCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

218.12

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1114.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1313.44	kJ/mol	Joback Calculated Property
ΔfusH°	17.45	kJ/mol	Joback Calculated Property
ΔvapH°	33.61	kJ/mol	Joback Calculated Property
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.303		Crippen Calculated Property
McVol	121.480	ml/mol	McGowan Calculated Property
Pc	2553.34	kPa	Joback Calculated Property
Inp	[745.60; 745.60]
Inp	745.60		NIST
Inp	745.60		NIST
Tboil	429.90	K	Joback Calculated Property
Tc	591.49	K	Joback Calculated Property
Tfus	243.52	K	Joback Calculated Property
Vc	0.499	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.07; 323.24]	J/mol×K	[429.90; 591.49]
Cp,gas	269.07	J/mol×K	429.90	Joback Calculated Property
Cp,gas	279.55	J/mol×K	456.83	Joback Calculated Property
Cp,gas	289.42	J/mol×K	483.76	Joback Calculated Property
Cp,gas	298.69	J/mol×K	510.70	Joback Calculated Property
Cp,gas	307.40	J/mol×K	537.63	Joback Calculated Property
Cp,gas	315.58	J/mol×K	564.56	Joback Calculated Property
Cp,gas	323.24	J/mol×K	591.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Crotyl alcohol, pentafluoropropionate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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