Chemical Properties of 2-Chloro-5-nitrobenzyl alcohol, n-butyl ether

InChI

InChI=1S/C11H14ClNO3/c1-2-3-6-16-8-9-7-10(13(14)15)4-5-11(9)12/h4-5,7H,2-3,6,8H2,1H3

InChI Key

DJVAIFWCYZXKKT-UHFFFAOYSA-N

Formula

C11H14ClNO3

SMILES

CCCCOCc1cc([N+](=O)[O-])ccc1Cl

Molecular Weight¹

243.69

• 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°	53.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.50	kJ/mol	Joback Calculated Property
ΔfusH°	34.25	kJ/mol	Joback Calculated Property
ΔvapH°	67.07	kJ/mol	Joback Calculated Property
log10WS	-4.45		Crippen Calculated Property
logPoct/wat	3.565		Crippen Calculated Property
McVol	177.620	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	699.41	K	Joback Calculated Property
Tc	929.90	K	Joback Calculated Property
Tfus	460.95	K	Joback Calculated Property
Vc	0.693	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.61; 521.13]	J/mol×K	[699.41; 929.90]
Cp,gas	455.61	J/mol×K	699.41	Joback Calculated Property
Cp,gas	468.71	J/mol×K	737.82	Joback Calculated Property
Cp,gas	480.91	J/mol×K	776.24	Joback Calculated Property
Cp,gas	492.22	J/mol×K	814.65	Joback Calculated Property
Cp,gas	502.68	J/mol×K	853.07	Joback Calculated Property
Cp,gas	512.31	J/mol×K	891.48	Joback Calculated Property
Cp,gas	521.13	J/mol×K	929.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-5-nitrobenzyl alcohol, n-butyl ether.

Sources

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

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