Chemical Properties of 2-Chloro-5-nitrobenzyl alcohol, isopropyl ether

InChI

InChI=1S/C10H12ClNO3/c1-7(2)15-6-8-5-9(12(13)14)3-4-10(8)11/h3-5,7H,6H2,1-2H3

InChI Key

DTHLKNLMHFEKGM-UHFFFAOYSA-N

Formula

C10H12ClNO3

SMILES

CC(C)OCc1cc([N+](=O)[O-])ccc1Cl

Molecular Weight¹

229.66

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6046		Relay (1.0) Calculated Property
ΔfG°	42.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.14	kJ/mol	Joback Calculated Property
ΔvapH°	77.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-3.21		Relay (1.0) Calculated Property
logPoct/wat	3.173		Crippen Calculated Property
McVol	163.530	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[1677.00; 1677.00]
Inp	1677.00		NIST
Inp	1677.00		NIST
Tboil	564.24	K	Relay (1.0) Calculated Property
Tc	800.38	K	Relay (1.0) Calculated Property
Tfus	317.31	K	Relay (1.0) Calculated Property
Vc	0.578	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[405.78; 469.08]	J/mol×K	[676.09; 915.95]
Cp,gas	405.78	J/mol×K	676.09	Joback Calculated Property
Cp,gas	418.54	J/mol×K	716.07	Joback Calculated Property
Cp,gas	430.39	J/mol×K	756.04	Joback Calculated Property
Cp,gas	441.35	J/mol×K	796.02	Joback Calculated Property
Cp,gas	451.43	J/mol×K	836.00	Joback Calculated Property
Cp,gas	460.67	J/mol×K	875.98	Joback Calculated Property
Cp,gas	469.08	J/mol×K	915.95	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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