- InChI
- InChI=1S/C11H10N2O6/c1-2-3-4-19-11(14)8-5-9(12(15)16)7-10(6-8)13(17)18/h2,5-7H,1,3-4H2
- InChI Key
- AUGWZTWOGIRQQN-UHFFFAOYSA-N
- Formula
- C11H10N2O6
- SMILES
-
C=CCCOC(=O)c1cc([N+](=O)[O-])c
c([N+](=O)[O-])c1 - Molecular Weight1
- 266.21
- Other Names
-
- Benzoic acid, 3,5-dinitro, 3-butenyl ester
- 3-Butenyl 3,5-dinitrobenzoate
- 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° | 59.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 2.236 | Crippen Calculated Property | |
| McVol | 180.070 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [1920.00; 1942.00] |
|
|
| Inp | 1920.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Inp | 1938.00 | NIST | |
| I | [2935.00; 2974.00] |
|
|
| I | 2935.00 | NIST | |
| I | 2953.00 | NIST | |
| I | 2974.00 | NIST | |
| I | 2956.00 | NIST | |
| I | 2935.00 | NIST | |
| Tboil | 864.37 | K | Joback Calculated Property |
| Tc | 1119.11 | K | Joback Calculated Property |
| Tfus | 622.81 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.97; 549.35] | J/mol×K | [864.37; 1119.11] |
|
| Cp,gas | 506.97 | J/mol×K | 864.37 | Joback Calculated Property |
| Cp,gas | 516.43 | J/mol×K | 906.83 | Joback Calculated Property |
| Cp,gas | 524.87 | J/mol×K | 949.28 | Joback Calculated Property |
| Cp,gas | 532.35 | J/mol×K | 991.74 | Joback Calculated Property |
| Cp,gas | 538.89 | J/mol×K | 1034.20 | Joback Calculated Property |
| Cp,gas | 544.54 | J/mol×K | 1076.66 | Joback Calculated Property |
| Cp,gas | 549.35 | J/mol×K | 1119.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to But-3-enyl 3,5-dinitrobenzoate.
Sources
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