Chemical Properties of (3-Nitrophenyl) methanol, n-propyl ether

InChI

InChI=1S/C10H13NO3/c1-2-6-14-8-9-4-3-5-10(7-9)11(12)13/h3-5,7H,2,6,8H2,1H3

InChI Key

JSBSRQZVRQKUFP-UHFFFAOYSA-N

Formula

C10H13NO3

SMILES

CCCOCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

195.22

• 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°	66.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.65	kJ/mol	Joback Calculated Property
ΔfusH°	27.86	kJ/mol	Joback Calculated Property
ΔvapH°	59.79	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.521		Crippen Calculated Property
McVol	151.290	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[1597.00; 1597.00]
Inp	1597.00		NIST
Inp	1597.00		NIST
Tboil	634.12	K	Joback Calculated Property
Tc	865.31	K	Joback Calculated Property
Tfus	407.24	K	Joback Calculated Property
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.25; 451.36]	J/mol×K	[634.12; 865.31]
Cp,gas	382.25	J/mol×K	634.12	Joback Calculated Property
Cp,gas	395.94	J/mol×K	672.65	Joback Calculated Property
Cp,gas	408.72	J/mol×K	711.18	Joback Calculated Property
Cp,gas	420.63	J/mol×K	749.72	Joback Calculated Property
Cp,gas	431.69	J/mol×K	788.25	Joback Calculated Property
Cp,gas	441.93	J/mol×K	826.78	Joback Calculated Property
Cp,gas	451.36	J/mol×K	865.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3-Nitrophenyl) methanol, n-propyl ether.

Sources

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

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