Chemical Properties of 2,5-Dichlorobenzyl alcohol, pentafluoropropionate

InChI

InChI=1S/C10H5Cl2F5O2/c11-6-1-2-7(12)5(3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2

InChI Key

JLDDEOFRFGXBTC-UHFFFAOYSA-N

Formula

C10H5Cl2F5O2

SMILES

O=C(OCc1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)F

Molecular Weight¹

323.04

• 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°	-1099.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1310.47	kJ/mol	Joback Calculated Property
ΔfusH°	26.67	kJ/mol	Joback Calculated Property
ΔvapH°	52.70	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	4.234		Crippen Calculated Property
McVol	168.770	ml/mol	McGowan Calculated Property
Pc	2284.95	kPa	Joback Calculated Property
Inp	[1313.00; 1313.00]
Inp	1313.00		NIST
Inp	1313.00		NIST
Tboil	605.88	K	Joback Calculated Property
Tc	803.98	K	Joback Calculated Property
Tfus	393.71	K	Joback Calculated Property
Vc	0.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.59; 445.16]	J/mol×K	[605.88; 803.98]
Cp,gas	397.59	J/mol×K	605.88	Joback Calculated Property
Cp,gas	407.29	J/mol×K	638.90	Joback Calculated Property
Cp,gas	416.22	J/mol×K	671.91	Joback Calculated Property
Cp,gas	424.43	J/mol×K	704.93	Joback Calculated Property
Cp,gas	431.96	J/mol×K	737.94	Joback Calculated Property
Cp,gas	438.85	J/mol×K	770.96	Joback Calculated Property
Cp,gas	445.16	J/mol×K	803.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dichlorobenzyl alcohol, pentafluoropropionate.

Sources

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

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