Chemical Properties of Ethyl glycolate, chlorodifluoroacetate

InChI

InChI=1S/C6H7ClF2O4/c1-2-12-4(10)3-13-5(11)6(7,8)9/h2-3H2,1H3

InChI Key

GDIUMTIAKYMYSR-UHFFFAOYSA-N

Formula

C6H7ClF2O4

SMILES

CCOC(=O)COC(=O)C(F)(F)Cl

Molecular Weight¹

216.57

• 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	0.4790		Relay (1.0) Calculated Property
ΔfG°	-1019.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1174.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.98	kJ/mol	Joback Calculated Property
ΔvapH°	60.55	kJ/mol	Relay (1.0) Calculated Property
IE	10.82	eV	Relay (1.0) Calculated Property
log10WS	-1.60		Relay (1.0) Calculated Property
logPoct/wat	0.924		Crippen Calculated Property
McVol	126.060	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[996.00; 996.00]
Inp	996.00		NIST
Inp	996.00		NIST
Tboil	446.81	K	Relay (1.0) Calculated Property
Tc	595.77	K	Relay (1.0) Calculated Property
Tfus	251.74	K	Relay (1.0) Calculated Property
Vc	0.478	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.78; 368.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.88520e+01
Coefficient B			6.20420e-01
Coefficient C			-3.38400e-04
Coefficient D			3.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.78	J/mol×K	273.00	Calculated Property
Cp,gas	227.68	J/mol×K	353.78	Calculated Property
Cp,gas	257.68	J/mol×K	434.56	Calculated Property
Cp,gas	283.92	J/mol×K	515.33	Calculated Property
Cp,gas	306.51	J/mol×K	596.11	Calculated Property
Cp,gas	325.58	J/mol×K	676.89	Calculated Property
Cp,gas	341.23	J/mol×K	757.67	Calculated Property
Cp,gas	353.60	J/mol×K	838.44	Calculated Property
Cp,gas	362.81	J/mol×K	919.22	Calculated Property
Cp,gas	368.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl glycolate, chlorodifluoroacetate.

Sources

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

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