Chemical Properties of 2-(2-(2-(2-(2-Isopentoxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethyl trifluoroacetate

InChI

InChI=1S/C19H35F3O8/c1-17(2)3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-18(23)19(20,21)22/h17H,3-16H2,1-2H3

InChI Key

CCIXCRATCVIVJP-UHFFFAOYSA-N

Formula

C19H35F3O8

SMILES

CC(C)CCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

448.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2089.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.77	kJ/mol	Joback Calculated Property
ΔvapH°	97.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	2.238		Crippen Calculated Property
McVol	326.540	ml/mol	McGowan Calculated Property
Pc	948.50	kPa	Joback Calculated Property
Inp	[2330.60; 2330.60]
Inp	2330.60		NIST
Inp	2330.60		NIST
Tboil	640.65	K	Relay (1.0) Calculated Property
Tc	747.32	K	Relay (1.0) Calculated Property
Tfus	214.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.13; 1141.88]	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			1.56144e+02
Coefficient B			1.54194e+00
Coefficient C			-4.73400e-04
Coefficient D			-8.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	540.13	J/mol×K	273.00	Calculated Property
Cp,gas	638.73	J/mol×K	353.78	Calculated Property
Cp,gas	730.01	J/mol×K	434.56	Calculated Property
Cp,gas	813.71	J/mol×K	515.33	Calculated Property
Cp,gas	889.55	J/mol×K	596.11	Calculated Property
Cp,gas	957.29	J/mol×K	676.89	Calculated Property
Cp,gas	1016.65	J/mol×K	757.67	Calculated Property
Cp,gas	1067.38	J/mol×K	838.44	Calculated Property
Cp,gas	1109.21	J/mol×K	919.22	Calculated Property
Cp,gas	1141.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-(2-(2-(2-Isopentoxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethyl trifluoroacetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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