- InChI
- InChI=1S/C10H12N2O5/c1-3-6(2)7-4-8(11(14)15)10(13)9(5-7)12(16)17/h4-6,13H,3H2,1-2H3
- InChI Key
- WJRXGXYMRWUFQF-UHFFFAOYSA-N
- Formula
- C10H12N2O5
- SMILES
-
CCC(C)c1cc([N+](=O)[O-])c(O)c(
[N+](=O)[O-])c1 - Molecular Weight1
- 240.21
- CAS
- 4097-48-7
- 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).
- 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° | 40.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 168.710 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 848.70 | K | Joback Calculated Property |
| Tc | 1113.71 | K | Joback Calculated Property |
| Tfus | 637.86 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.13; 550.00] | J/mol×K | [848.70; 1113.71] | 
|
| Cp,gas | 491.13 | J/mol×K | 848.70 | Joback Calculated Property |
| Cp,gas | 501.95 | J/mol×K | 892.87 | Joback Calculated Property |
| Cp,gas | 512.19 | J/mol×K | 937.04 | Joback Calculated Property |
| Cp,gas | 521.99 | J/mol×K | 981.20 | Joback Calculated Property |
| Cp,gas | 531.46 | J/mol×K | 1025.37 | Joback Calculated Property |
| Cp,gas | 540.76 | J/mol×K | 1069.54 | Joback Calculated Property |
| Cp,gas | 550.00 | J/mol×K | 1113.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Sec-butyl-2,6-dinitrophenol.
Sources
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