Chemical Properties of Carbamic acid, (4-nitrophenyl)-, ethyl ester (CAS 2621-73-0)

InChI

InChI=1S/C9H10N2O4/c1-2-15-9(12)10-7-3-5-8(6-4-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)

InChI Key

SBPHMRSYBPXBIP-UHFFFAOYSA-N

Formula

C9H10N2O4

SMILES

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

210.19

CAS

2621-73-0

Other Names

• Carbanilic acid, p-nitro-, ethyl ester
• p-Nitrophenylurethane
• 4-Nitrophenylurethane
• Ethyl 4-nitrophenylcarbamate
• p-Nitro carbanilic acid, ethyl ester

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-327.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.55	kJ/mol	Joback Calculated Property
ΔvapH°	96.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.163		Crippen Calculated Property
McVol	148.750	ml/mol	McGowan Calculated Property
Inp	[1850.00; 1859.00]
Inp	1850.00		NIST
Inp	1859.00		NIST
Inp	1850.00		NIST
Tboil	578.53	K	Relay (1.0) Calculated Property
Tfus	381.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.39; 453.31]	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			4.79100e+00
Coefficient B			8.41180e-01
Coefficient C			-4.62360e-04
Coefficient D			6.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.39	J/mol×K	273.00	Calculated Property
Cp,gas	247.60	J/mol×K	353.78	Calculated Property
Cp,gas	288.74	J/mol×K	434.56	Calculated Property
Cp,gas	325.03	J/mol×K	515.33	Calculated Property
Cp,gas	356.69	J/mol×K	596.11	Calculated Property
Cp,gas	383.95	J/mol×K	676.89	Calculated Property
Cp,gas	407.02	J/mol×K	757.67	Calculated Property
Cp,gas	426.12	J/mol×K	838.44	Calculated Property
Cp,gas	441.48	J/mol×K	919.22	Calculated Property
Cp,gas	453.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, (4-nitrophenyl)-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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