Chemical Properties of 2-Methyl-3-nitrobenzyl alcohol, trifluoroacetate

InChI

InChI=1S/C10H8F3NO4/c1-6-7(3-2-4-8(6)14(16)17)5-18-9(15)10(11,12)13/h2-4H,5H2,1H3

InChI Key

DQGNCAWKFZZYGP-UHFFFAOYSA-N

Formula

C10H8F3NO4

SMILES

Cc1c(COC(=O)C(F)(F)F)cccc1[N+](=O)[O-]

Molecular Weight¹

263.17

• 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°	-653.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-888.78	kJ/mol	Joback Calculated Property
ΔfusH°	30.89	kJ/mol	Joback Calculated Property
ΔvapH°	63.45	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	2.509		Crippen Calculated Property
McVol	158.170	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[1467.00; 1467.00]
Inp	1467.00		NIST
Inp	1467.00		NIST
Tboil	687.55	K	Joback Calculated Property
Tc	907.64	K	Joback Calculated Property
Tfus	473.88	K	Joback Calculated Property
Vc	0.636	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.97; 472.70]	J/mol×K	[687.55; 907.64]
Cp,gas	420.97	J/mol×K	687.55	Joback Calculated Property
Cp,gas	431.54	J/mol×K	724.23	Joback Calculated Property
Cp,gas	441.28	J/mol×K	760.91	Joback Calculated Property
Cp,gas	450.23	J/mol×K	797.59	Joback Calculated Property
Cp,gas	458.42	J/mol×K	834.28	Joback Calculated Property
Cp,gas	465.90	J/mol×K	870.96	Joback Calculated Property
Cp,gas	472.70	J/mol×K	907.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-nitrobenzyl alcohol, trifluoroacetate.

Sources

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

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