Chemical Properties of Ethyl 3-nitrobenzoate

InChI

InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3

InChI Key

MKBIJCPQTPFQKQ-UHFFFAOYSA-N

Formula

C9H9NO4

SMILES

CCOC(=O)c1cccc([N+](=O)[O-])c1

Molecular Weight¹

195.17

Other Names

• Ethyl-m-nitrobenzoate
• Benzoic acid, 3-nitro-, ethyl ester
• m-Nitrobenzoic acid, ethyl ester
• Benzoic acid, m-nitro-, ethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.21; 416.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.00100e+00
Coefficient B			7.64980e-01
Coefficient C			-4.13760e-04
Coefficient D			5.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.21	J/mol×K	273.00	Calculated Property
Cp,gas	227.47	J/mol×K	353.78	Calculated Property
Cp,gas	265.15	J/mol×K	434.56	Calculated Property
Cp,gas	298.44	J/mol×K	515.33	Calculated Property
Cp,gas	327.53	J/mol×K	596.11	Calculated Property
Cp,gas	352.59	J/mol×K	676.89	Calculated Property
Cp,gas	373.83	J/mol×K	757.67	Calculated Property
Cp,gas	391.42	J/mol×K	838.44	Calculated Property
Cp,gas	405.55	J/mol×K	919.22	Calculated Property
Cp,gas	416.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.14; 100.52]	kPa	[381.30; 571.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62798e+01
Coefficient B			-6.12144e+03
Coefficient C			-4.64320e+01
Reference			Stull, 1947
Temperature range, min.			381.30
Temperature range, max.			571.00
Pvap	0.14	kPa	381.30	Calculated Property
Pvap	0.40	kPa	402.38	Calculated Property
Pvap	1.04	kPa	423.46	Calculated Property
Pvap	2.47	kPa	444.53	Calculated Property
Pvap	5.35	kPa	465.61	Calculated Property
Pvap	10.76	kPa	486.69	Calculated Property
Pvap	20.30	kPa	507.77	Calculated Property
Pvap	36.26	kPa	528.84	Calculated Property
Pvap	61.67	kPa	549.92	Calculated Property
Pvap	100.52	kPa	571.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-nitrobenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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