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

• 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°	42.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.14	kJ/mol	Joback Calculated Property
ΔfusH°	28.14	kJ/mol	Joback Calculated Property
ΔvapH°	64.45	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen 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	676.09	K	Joback Calculated Property
Tc	915.95	K	Joback Calculated Property
Tfus	434.68	K	Joback Calculated Property
Vc	0.630	m3/kmol	Joback 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

• 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.