Chemical Properties of 3-Nitrobenzyl alcohol, trifluoroacetate

InChI

InChI=1S/C9H6F3NO4/c10-9(11,12)8(14)17-5-6-2-1-3-7(4-6)13(15)16/h1-4H,5H2

InChI Key

AUJHIPQYLBWCBG-UHFFFAOYSA-N

Formula

C9H6F3NO4

SMILES

O=C(OCc1cccc([N+](=O)[O-])c1)C(F)(F)F

Molecular Weight¹

249.14

• 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°	-652.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-856.67	kJ/mol	Joback Calculated Property
ΔfusH°	28.69	kJ/mol	Joback Calculated Property
ΔvapH°	60.57	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	2.200		Crippen Calculated Property
McVol	144.080	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Inp	[1417.00; 1417.00]
Inp	1417.00		NIST
Inp	1417.00		NIST
Tboil	659.69	K	Joback Calculated Property
Tc	882.80	K	Joback Calculated Property
Tfus	450.09	K	Joback Calculated Property
Vc	0.581	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.78; 422.51]	J/mol×K	[659.69; 882.80]
Cp,gas	373.78	J/mol×K	659.69	Joback Calculated Property
Cp,gas	383.86	J/mol×K	696.88	Joback Calculated Property
Cp,gas	393.10	J/mol×K	734.06	Joback Calculated Property
Cp,gas	401.54	J/mol×K	771.25	Joback Calculated Property
Cp,gas	409.23	J/mol×K	808.43	Joback Calculated Property
Cp,gas	416.21	J/mol×K	845.62	Joback Calculated Property
Cp,gas	422.51	J/mol×K	882.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Nitrobenzyl alcohol, trifluoroacetate.

Sources

• 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.