Chemical Properties of 4-Chlorobenzyl alcohol, pentafluoropropionate (CAS 958997-71-2)

InChI

InChI=1S/C10H6ClF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2

InChI Key

YNOUQZHJUWTECY-UHFFFAOYSA-N

Formula

C10H6ClF5O2

SMILES

O=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)(F)F

Molecular Weight¹

288.60

CAS

958997-71-2

• 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°	-1078.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1283.26	kJ/mol	Joback Calculated Property
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔvapH°	47.66	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	3.581		Crippen Calculated Property
McVol	156.530	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[1193.00; 1193.00]
Inp	1193.00		NIST
Inp	1193.00		NIST
Tboil	563.47	K	Joback Calculated Property
Tc	756.35	K	Joback Calculated Property
Tfus	351.27	K	Joback Calculated Property
Vc	0.628	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.47; 428.75]	J/mol×K	[563.47; 756.35]
Cp,gas	374.47	J/mol×K	563.47	Joback Calculated Property
Cp,gas	385.42	J/mol×K	595.62	Joback Calculated Property
Cp,gas	395.55	J/mol×K	627.76	Joback Calculated Property
Cp,gas	404.90	J/mol×K	659.91	Joback Calculated Property
Cp,gas	413.52	J/mol×K	692.06	Joback Calculated Property
Cp,gas	421.46	J/mol×K	724.21	Joback Calculated Property
Cp,gas	428.75	J/mol×K	756.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzyl alcohol, pentafluoropropionate.

Sources

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

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