Chemical Properties of 2,6-Dichlorobenzyl alcohol, heptafluorobutyrate

InChI

InChI=1S/C11H5Cl2F7O2/c12-6-2-1-3-7(13)5(6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2

InChI Key

ZVDPTEHWNOCIEA-UHFFFAOYSA-N

Formula

C11H5Cl2F7O2

SMILES

O=C(OCc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

373.05

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5731		Relay (1.0) Calculated Property
ΔfG°	-1478.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1785.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.01	kJ/mol	Joback Calculated Property
ΔvapH°	72.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	4.870		Crippen Calculated Property
McVol	186.400	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[1355.00; 1355.00]
Inp	1355.00		NIST
Inp	1355.00		NIST
Tboil	504.84	K	Relay (1.0) Calculated Property
Tc	684.73	K	Relay (1.0) Calculated Property
Tfus	300.34	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.57; 512.21]	J/mol×K	[624.07; 813.33]
Cp,gas	464.57	J/mol×K	624.07	Joback Calculated Property
Cp,gas	474.38	J/mol×K	655.61	Joback Calculated Property
Cp,gas	483.37	J/mol×K	687.16	Joback Calculated Property
Cp,gas	491.58	J/mol×K	718.70	Joback Calculated Property
Cp,gas	499.09	J/mol×K	750.24	Joback Calculated Property
Cp,gas	505.95	J/mol×K	781.79	Joback Calculated Property
Cp,gas	512.21	J/mol×K	813.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dichlorobenzyl alcohol, heptafluorobutyrate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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