- InChI
- InChI=1S/C10H9NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h2-6H,1,7H2
- InChI Key
- FNAOSVAQWXBRLK-UHFFFAOYSA-N
- Formula
- C10H9NO4
- SMILES
-
C=CCOC(=O)c1ccc([N+](=O)[O-])c
c1 - Molecular Weight1
- 207.18
- Other Names
-
- 2-Propenyl 4-nitrobenzoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 1.938 | Crippen Calculated Property | |
| McVol | 148.560 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Inp | [1577.00; 1601.00] |
|
|
| Inp | 1580.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Inp | Outlier 1601.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1577.00 | NIST | |
| I | [2428.00; 2486.00] |
|
|
| I | 2428.00 | NIST | |
| I | 2446.00 | NIST | |
| I | 2458.00 | NIST | |
| I | 2486.00 | NIST | |
| I | 2428.00 | NIST | |
| I | 2446.00 | NIST | |
| Tboil | 684.67 | K | Joback Calculated Property |
| Tc | 926.88 | K | Joback Calculated Property |
| Tfus | 455.41 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.22; 427.74] | J/mol×K | [684.67; 926.88] |
|
| Cp,gas | 372.22 | J/mol×K | 684.67 | Joback Calculated Property |
| Cp,gas | 383.64 | J/mol×K | 725.04 | Joback Calculated Property |
| Cp,gas | 394.14 | J/mol×K | 765.41 | Joback Calculated Property |
| Cp,gas | 403.77 | J/mol×K | 805.77 | Joback Calculated Property |
| Cp,gas | 412.56 | J/mol×K | 846.14 | Joback Calculated Property |
| Cp,gas | 420.54 | J/mol×K | 886.51 | Joback Calculated Property |
| Cp,gas | 427.74 | J/mol×K | 926.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-nitro, allyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.