Chemical Properties of 2-Chloro-5-nitrobenzyl alcohol, 1-methylpropyl ether

InChI

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

InChI Key

UZAHJQABPLMASO-UHFFFAOYSA-N

Formula

C11H14ClNO3

SMILES

CCC(C)OCc1cc([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°	51.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.78	kJ/mol	Joback Calculated Property
ΔfusH°	30.73	kJ/mol	Joback Calculated Property
ΔvapH°	66.68	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	3.563		Crippen Calculated Property
McVol	177.620	ml/mol	McGowan Calculated Property
Pc	2482.59	kPa	Joback Calculated Property
Inp	[1777.00; 1777.00]
Inp	1777.00		NIST
Inp	1777.00		NIST
Tboil	698.97	K	Joback Calculated Property
Tc	933.99	K	Joback Calculated Property
Tfus	445.95	K	Joback Calculated Property
Vc	0.686	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.18; 522.67]	J/mol×K	[698.97; 933.99]
Cp,gas	456.18	J/mol×K	698.97	Joback Calculated Property
Cp,gas	469.56	J/mol×K	738.14	Joback Calculated Property
Cp,gas	481.98	J/mol×K	777.31	Joback Calculated Property
Cp,gas	493.49	J/mol×K	816.48	Joback Calculated Property
Cp,gas	504.08	J/mol×K	855.65	Joback Calculated Property
Cp,gas	513.81	J/mol×K	894.82	Joback Calculated Property
Cp,gas	522.67	J/mol×K	933.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-5-nitrobenzyl alcohol, 1-methylpropyl ether.

Sources

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

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