Chemical Properties of Diethylene glycol, chlorodifluoroacetate, pentafluoropropionate

InChI

InChI=1S/C9H8ClF7O5/c10-8(13,14)6(19)22-4-2-20-1-3-21-5(18)7(11,12)9(15,16)17/h1-4H2

InChI Key

QNIMPPMDJVEBDG-UHFFFAOYSA-N

Formula

C9H8ClF7O5

SMILES

O=C(OCCOCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)Cl

Molecular Weight¹

364.60

• 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	0.6710		Relay (1.0) Calculated Property
ΔfG°	-1915.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-2352.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.34	kJ/mol	Joback Calculated Property
ΔvapH°	69.45	kJ/mol	Relay (1.0) Calculated Property
IE	11.26	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.119		Crippen Calculated Property
McVol	183.050	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	[1185.00; 1185.00]
Inp	1185.00		NIST
Inp	1185.00		NIST
Tboil	467.65	K	Relay (1.0) Calculated Property
Tc	594.83	K	Relay (1.0) Calculated Property
Tfus	256.73	K	Relay (1.0) Calculated Property
Vc	0.696	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.88; 537.29]	J/mol×K	[602.95; 765.99]
Cp,gas	486.88	J/mol×K	602.95	Joback Calculated Property
Cp,gas	496.73	J/mol×K	630.12	Joback Calculated Property
Cp,gas	505.97	J/mol×K	657.30	Joback Calculated Property
Cp,gas	514.62	J/mol×K	684.47	Joback Calculated Property
Cp,gas	522.71	J/mol×K	711.64	Joback Calculated Property
Cp,gas	530.26	J/mol×K	738.81	Joback Calculated Property
Cp,gas	537.29	J/mol×K	765.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol, chlorodifluoroacetate, pentafluoropropionate.

Sources

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

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