Chemical Properties of Triethylene glycol, chlorodifluoroacetate, heptafluorobutyrate

InChI

InChI=1S/C12H12ClF9O6/c13-10(16,17)8(24)28-6-4-26-2-1-25-3-5-27-7(23)9(14,15)11(18,19)12(20,21)22/h1-6H2

InChI Key

ZDEGNFIPCXNMPL-UHFFFAOYSA-N

Formula

C12H12ClF9O6

SMILES

O=C(OCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)Cl

Molecular Weight¹

458.66

• 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	0.8194		Relay (1.0) Calculated Property
ΔfG°	-2381.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-2929.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.05	kJ/mol	Joback Calculated Property
ΔvapH°	79.17	kJ/mol	Relay (1.0) Calculated Property
IE	11.06	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	2.771		Crippen Calculated Property
McVol	234.730	ml/mol	McGowan Calculated Property
Pc	1394.37	kPa	Joback Calculated Property
Inp	[1445.00; 1445.00]
Inp	1445.00		NIST
Inp	1445.00		NIST
Tboil	517.11	K	Relay (1.0) Calculated Property
Tc	633.24	K	Relay (1.0) Calculated Property
Tfus	245.77	K	Relay (1.0) Calculated Property
Vc	0.894	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.41; 736.29]	J/mol×K	[689.32; 852.13]
Cp,gas	681.41	J/mol×K	689.32	Joback Calculated Property
Cp,gas	692.24	J/mol×K	716.45	Joback Calculated Property
Cp,gas	702.36	J/mol×K	743.59	Joback Calculated Property
Cp,gas	711.79	J/mol×K	770.72	Joback Calculated Property
Cp,gas	720.57	J/mol×K	797.86	Joback Calculated Property
Cp,gas	728.73	J/mol×K	824.99	Joback Calculated Property
Cp,gas	736.29	J/mol×K	852.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Triethylene glycol, chlorodifluoroacetate, heptafluorobutyrate.

Sources

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

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