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

InChI

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

InChI Key

VTQSLSRSEDIMHD-UHFFFAOYSA-N

Formula

C10H12ClNO3

SMILES

CCCOCc1cc([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°	45.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.86	kJ/mol	Joback Calculated Property
ΔfusH°	31.67	kJ/mol	Joback Calculated Property
ΔvapH°	64.84	kJ/mol	Joback Calculated Property
log10WS	-4.03		Crippen Calculated Property
logPoct/wat	3.175		Crippen Calculated Property
McVol	163.530	ml/mol	McGowan Calculated Property
Pc	2715.50	kPa	Joback Calculated Property
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	676.53	K	Joback Calculated Property
Tc	911.56	K	Joback Calculated Property
Tfus	449.68	K	Joback Calculated Property
Vc	0.636	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[405.22; 467.52]	J/mol×K	[676.53; 911.56]
Cp,gas	405.22	J/mol×K	676.53	Joback Calculated Property
Cp,gas	417.70	J/mol×K	715.70	Joback Calculated Property
Cp,gas	429.31	J/mol×K	754.87	Joback Calculated Property
Cp,gas	440.08	J/mol×K	794.04	Joback Calculated Property
Cp,gas	450.02	J/mol×K	833.22	Joback Calculated Property
Cp,gas	459.16	J/mol×K	872.39	Joback Calculated Property
Cp,gas	467.52	J/mol×K	911.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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