- InChI
- InChI=1S/C14H17NO6/c1-2-10-20-13(16)8-5-9-14(17)21-12-7-4-3-6-11(12)15(18)19/h3-4,6-7H,2,5,8-10H2,1H3
- InChI Key
- RWWJXUNBLTUGSI-UHFFFAOYSA-N
- Formula
- C14H17NO6
- SMILES
-
CCCOC(=O)CCCC(=O)Oc1ccccc1[N+]
(=O)[O-] - Molecular Weight1
- 295.29
- 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° | -262.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 2.624 | Crippen Calculated Property | |
| McVol | 216.660 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Inp | 2269.00 | NIST | |
| Tboil | 855.80 | K | Joback Calculated Property |
| Tc | 1081.29 | K | Joback Calculated Property |
| Tfus | 574.41 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [642.35; 696.31] | J/mol×K | [855.80; 1081.29] | 
|
| Cp,gas | 642.35 | J/mol×K | 855.80 | Joback Calculated Property |
| Cp,gas | 654.06 | J/mol×K | 893.38 | Joback Calculated Property |
| Cp,gas | 664.66 | J/mol×K | 930.96 | Joback Calculated Property |
| Cp,gas | 674.17 | J/mol×K | 968.55 | Joback Calculated Property |
| Cp,gas | 682.61 | J/mol×K | 1006.13 | Joback Calculated Property |
| Cp,gas | 689.98 | J/mol×K | 1043.71 | Joback Calculated Property |
| Cp,gas | 696.31 | J/mol×K | 1081.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-nitrophenyl propyl ester.
Sources
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