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

InChI

InChI=1S/C21H39F3O9/c1-19(2)3-4-26-5-6-27-7-8-28-9-10-29-11-12-30-13-14-31-15-16-32-17-18-33-20(25)21(22,23)24/h19H,3-18H2,1-2H3

InChI Key

HWVZTQGMQZUZFR-UHFFFAOYSA-N

Formula

C21H39F3O9

SMILES

CC(C)CCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

492.53

• 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	-2250.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.13	kJ/mol	Joback Calculated Property
ΔvapH°	104.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-1.88		Relay (1.0) Calculated Property
logPoct/wat	2.254		Crippen Calculated Property
McVol	360.590	ml/mol	McGowan Calculated Property
Pc	837.24	kPa	Joback Calculated Property
Inp	[2595.10; 2595.10]
Inp	2595.10		NIST
Inp	2595.10		NIST
Tboil	671.80	K	Relay (1.0) Calculated Property
Tc	772.30	K	Relay (1.0) Calculated Property
Tfus	210.85	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	[597.96; 1263.57]	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			1.79826e+02
Coefficient B			1.66874e+00
Coefficient C			-4.71200e-04
Coefficient D			-1.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	597.96	J/mol×K	273.00	Calculated Property
Cp,gas	706.18	J/mol×K	353.78	Calculated Property
Cp,gas	806.67	J/mol×K	434.56	Calculated Property
Cp,gas	899.07	J/mol×K	515.33	Calculated Property
Cp,gas	983.03	J/mol×K	596.11	Calculated Property
Cp,gas	1058.19	J/mol×K	676.89	Calculated Property
Cp,gas	1124.18	J/mol×K	757.67	Calculated Property
Cp,gas	1180.65	J/mol×K	838.44	Calculated Property
Cp,gas	1227.23	J/mol×K	919.22	Calculated Property
Cp,gas	1263.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-(2-(2-(2-(2-Isopentoxy-ethoxy)-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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