- InChI
- InChI=1S/C14H18N2O7/c1-3-4-5-22-9-10(2)23-14(17)11-6-12(15(18)19)8-13(7-11)16(20)21/h6-8,10H,3-5,9H2,1-2H3
- InChI Key
- FVUZKXJWGVSKJT-UHFFFAOYSA-N
- Formula
- C14H18N2O7
- SMILES
-
CCCCOCC(C)OC(=O)c1cc([N+](=O)[
O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 326.30
- 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.
- 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° | -110.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 232.510 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | [2278.00; 2278.00] |
|
|
| Inp | 2278.00 | NIST | |
| Inp | 2278.00 | NIST | |
| Tboil | 958.31 | K | Joback Calculated Property |
| Tc | 1200.34 | K | Joback Calculated Property |
| Tfus | 665.61 | K | Joback Calculated Property |
| Vc | 0.911 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.63; 766.95] | J/mol×K | [958.31; 1200.34] |
|
| Cp,gas | 725.63 | J/mol×K | 958.31 | Joback Calculated Property |
| Cp,gas | 735.70 | J/mol×K | 998.65 | Joback Calculated Property |
| Cp,gas | 744.47 | J/mol×K | 1038.99 | Joback Calculated Property |
| Cp,gas | 751.96 | J/mol×K | 1079.33 | Joback Calculated Property |
| Cp,gas | 758.19 | J/mol×K | 1119.66 | Joback Calculated Property |
| Cp,gas | 763.18 | J/mol×K | 1160.00 | Joback Calculated Property |
| Cp,gas | 766.95 | J/mol×K | 1200.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butoxypropan-2-yl 3,5-dinitrobenzoate.
Sources
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