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

InChI

InChI=1S/C12H16ClNO3/c1-2-3-4-7-17-9-10-8-11(14(15)16)5-6-12(10)13/h5-6,8H,2-4,7,9H2,1H3

InChI Key

XGDSSGLXSAKOFU-UHFFFAOYSA-N

Formula

C12H16ClNO3

SMILES

CCCCCOCc1cc([N+](=O)[O-])ccc1Cl

Molecular Weight¹

257.71

• 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°	61.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-236.14	kJ/mol	Joback Calculated Property
ΔfusH°	36.84	kJ/mol	Joback Calculated Property
ΔvapH°	69.29	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	3.955		Crippen Calculated Property
McVol	191.710	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1936.00; 1936.00]
Inp	1936.00		NIST
Inp	1936.00		NIST
Tboil	722.29	K	Joback Calculated Property
Tc	948.64	K	Joback Calculated Property
Tfus	472.22	K	Joback Calculated Property
Vc	0.749	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.34; 575.57]	J/mol×K	[722.29; 948.64]
Cp,gas	507.34	J/mol×K	722.29	Joback Calculated Property
Cp,gas	520.96	J/mol×K	760.02	Joback Calculated Property
Cp,gas	533.65	J/mol×K	797.74	Joback Calculated Property
Cp,gas	545.42	J/mol×K	835.47	Joback Calculated Property
Cp,gas	556.32	J/mol×K	873.19	Joback Calculated Property
Cp,gas	566.36	J/mol×K	910.92	Joback Calculated Property
Cp,gas	575.57	J/mol×K	948.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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