- InChI
- InChI=1S/C11H13NO5/c1-16-11(13)3-2-8-17-10-6-4-9(5-7-10)12(14)15/h4-7H,2-3,8H2,1H3
- InChI Key
- MJMZBXYBWMBFNY-UHFFFAOYSA-N
- Formula
- C11H13NO5
- SMILES
-
COC(=O)CCCOc1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 239.22
- CAS
- 28341-53-9
- 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° | -158.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 1.927 | Crippen Calculated Property | |
| McVol | 172.820 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 733.29 | K | Joback Calculated Property |
| Tc | 962.85 | K | Joback Calculated Property |
| Tfus | 490.67 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.41; 530.88] | J/mol×K | [733.29; 962.85] | 
|
| Cp,gas | 470.41 | J/mol×K | 733.29 | Joback Calculated Property |
| Cp,gas | 482.86 | J/mol×K | 771.55 | Joback Calculated Property |
| Cp,gas | 494.35 | J/mol×K | 809.81 | Joback Calculated Property |
| Cp,gas | 504.89 | J/mol×K | 848.07 | Joback Calculated Property |
| Cp,gas | 514.48 | J/mol×K | 886.33 | Joback Calculated Property |
| Cp,gas | 523.15 | J/mol×K | 924.59 | Joback Calculated Property |
| Cp,gas | 530.88 | J/mol×K | 962.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4-(p-nitrophenoxy)butyrate.
Sources
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