Chemical Properties of Glutaric acid, 2,2-dichloroethyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C10H13Cl2F3O4/c1-6(10(13,14)15)19-9(17)4-2-3-8(16)18-5-7(11)12/h6-7H,2-5H2,1H3

InChI Key

AHTUOJCASOQEFL-UHFFFAOYSA-N

Formula

C10H13Cl2F3O4

SMILES

CC(OC(=O)CCCC(=O)OCC(Cl)Cl)C(F)(F)F

Molecular Weight¹

325.11

• 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	0.6979		Relay (1.0) Calculated Property
ΔfG°	-1044.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1538.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.40	kJ/mol	Joback Calculated Property
ΔvapH°	73.56	kJ/mol	Relay (1.0) Calculated Property
IE	10.59	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	2.998		Crippen Calculated Property
McVol	196.430	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[1509.00; 1509.00]
Inp	1509.00		NIST
Inp	1509.00		NIST
Tboil	522.30	K	Relay (1.0) Calculated Property
Tc	684.57	K	Relay (1.0) Calculated Property
Tfus	297.71	K	Relay (1.0) Calculated Property
Vc	0.710	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.26; 555.92]	J/mol×K	[649.34; 831.49]
Cp,gas	498.26	J/mol×K	649.34	Joback Calculated Property
Cp,gas	509.45	J/mol×K	679.70	Joback Calculated Property
Cp,gas	519.99	J/mol×K	710.06	Joback Calculated Property
Cp,gas	529.90	J/mol×K	740.42	Joback Calculated Property
Cp,gas	539.17	J/mol×K	770.77	Joback Calculated Property
Cp,gas	547.84	J/mol×K	801.13	Joback Calculated Property
Cp,gas	555.92	J/mol×K	831.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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