- InChI
- InChI=1S/C12H14N2O4/c15-12(13-8-11-2-1-7-18-11)9-3-5-10(6-4-9)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)
- InChI Key
- ZIDAIXFZQZFHDE-UHFFFAOYSA-N
- Formula
- C12H14N2O4
- SMILES
-
O=C(NCC1CCCO1)c1ccc([N+](=O)[O
-])cc1 - Molecular Weight1
- 250.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7208 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.504 | Crippen Calculated Property | |
| McVol | 180.160 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [2244.00; 2244.00] |
|
|
| Inp | 2244.00 | NIST | |
| Inp | 2244.00 | NIST | |
| Tboil | 619.57 | K | Relay (1.0) Calculated Property |
| Tc | 906.04 | K | Relay (1.0) Calculated Property |
| Tfus | 380.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.18; 602.82] | J/mol×K | [803.73; 1057.98] |
|
| Cp,gas | 540.18 | J/mol×K | 803.73 | Joback Calculated Property |
| Cp,gas | 553.46 | J/mol×K | 846.10 | Joback Calculated Property |
| Cp,gas | 565.49 | J/mol×K | 888.48 | Joback Calculated Property |
| Cp,gas | 576.35 | J/mol×K | 930.85 | Joback Calculated Property |
| Cp,gas | 586.14 | J/mol×K | 973.23 | Joback Calculated Property |
| Cp,gas | 594.94 | J/mol×K | 1015.60 | Joback Calculated Property |
| Cp,gas | 602.82 | J/mol×K | 1057.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-tetrahydrofurfuryl-4-nitro-.
Sources
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