Chemical Properties of 2,2',2''-Nitrilotriethanol, O, O'-bis(trifluoroacetyl)

InChI

InChI=1S/C10H13F6NO5/c11-9(12,13)7(19)21-5-2-17(1-4-18)3-6-22-8(20)10(14,15)16/h18H,1-6H2

InChI Key

JOGYYXONGISBQT-UHFFFAOYSA-N

Formula

C10H13F6NO5

SMILES

O=C(OCCN(CCO)CCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

341.20

Other Names

• [(2-Hydroxyethyl)azanediyl]bis(ethane-2,1-diyl) bis(2,2,2-trifluoroacetate)

• 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).
• 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
ΔfG°	-1623.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-2018.19	kJ/mol	Joback Calculated Property
ΔfusH°	37.99	kJ/mol	Joback Calculated Property
ΔvapH°	67.39	kJ/mol	Joback Calculated Property
log10WS	-0.89		Crippen Calculated Property
logPoct/wat	0.492		Crippen Calculated Property
McVol	193.110	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[1348.00; 1348.00]
Inp	1348.00		NIST
Inp	1348.00		NIST
Tboil	674.56	K	Joback Calculated Property
Tc	833.85	K	Joback Calculated Property
Tfus	448.45	K	Joback Calculated Property
Vc	0.766	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.04; 616.05]	J/mol×K	[674.56; 833.85]
Cp,gas	564.04	J/mol×K	674.56	Joback Calculated Property
Cp,gas	574.09	J/mol×K	701.11	Joback Calculated Property
Cp,gas	583.56	J/mol×K	727.66	Joback Calculated Property
Cp,gas	592.47	J/mol×K	754.20	Joback Calculated Property
Cp,gas	600.84	J/mol×K	780.75	Joback Calculated Property
Cp,gas	608.69	J/mol×K	807.30	Joback Calculated Property
Cp,gas	616.05	J/mol×K	833.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2',2''-Nitrilotriethanol, O, O'-bis(trifluoroacetyl).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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