Chemical Properties of Ethanolamine, N,O-bis(heptafluorobutyryl)- (CAS 70473-77-7)

InChI

InChI=1S/C10H5F14NO3/c11-5(12,7(15,16)9(19,20)21)3(26)25-1-2-28-4(27)6(13,14)8(17,18)10(22,23)24/h1-2H2,(H,25,26)

InChI Key

WESDPPGDTBHHKN-UHFFFAOYSA-N

Formula

C10H5F14NO3

SMILES

O=C(NCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

453.13

CAS

70473-77-7

• 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°	-2950.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-3351.68	kJ/mol	Joback Calculated Property
ΔfusH°	29.78	kJ/mol	Joback Calculated Property
ΔvapH°	40.98	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	3.312		Crippen Calculated Property
McVol	195.530	ml/mol	McGowan Calculated Property
Pc	1511.67	kPa	Joback Calculated Property
Inp	[1035.00; 1035.00]
Inp	1035.00		NIST
Inp	1035.00		NIST
Tboil	578.93	K	Joback Calculated Property
Tc	723.00	K	Joback Calculated Property
Tfus	399.99	K	Joback Calculated Property
Vc	0.847	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.54; 626.14]	J/mol×K	[578.93; 723.00]
Cp,gas	575.54	J/mol×K	578.93	Joback Calculated Property
Cp,gas	585.77	J/mol×K	602.94	Joback Calculated Property
Cp,gas	595.22	J/mol×K	626.95	Joback Calculated Property
Cp,gas	603.94	J/mol×K	650.97	Joback Calculated Property
Cp,gas	611.97	J/mol×K	674.98	Joback Calculated Property
Cp,gas	619.35	J/mol×K	698.99	Joback Calculated Property
Cp,gas	626.14	J/mol×K	723.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanolamine, N,O-bis(heptafluorobutyryl)-.

Sources

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

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