- InChI
- InChI=1S/C18H23NO6/c20-17(24-13-14-5-2-1-3-6-14)7-4-8-18(21)25-16-11-9-15(10-12-16)19(22)23/h9-12,14H,1-8,13H2
- InChI Key
- ANLPHMIUWRBKDG-UHFFFAOYSA-N
- Formula
- C18H23NO6
- SMILES
-
O=C(CCCC(=O)Oc1ccc([N+](=O)[O-
])cc1)OCC1CCCCC1 - Molecular Weight1
- 349.38
- 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° | -204.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.93 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 3.794 | Crippen Calculated Property | |
| McVol | 262.160 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [2841.00; 2841.00] |
|
|
| Inp | 2841.00 | NIST | |
| Inp | 2841.00 | NIST | |
| Tboil | 966.87 | K | Joback Calculated Property |
| Tc | 1208.73 | K | Joback Calculated Property |
| Tfus | 626.87 | K | Joback Calculated Property |
| Vc | 0.999 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.54; 912.56] | J/mol×K | [966.87; 1208.73] |
|
| Cp,gas | 862.54 | J/mol×K | 966.87 | Joback Calculated Property |
| Cp,gas | 874.81 | J/mol×K | 1007.18 | Joback Calculated Property |
| Cp,gas | 885.45 | J/mol×K | 1047.49 | Joback Calculated Property |
| Cp,gas | 894.51 | J/mol×K | 1087.80 | Joback Calculated Property |
| Cp,gas | 902.02 | J/mol×K | 1128.11 | Joback Calculated Property |
| Cp,gas | 908.02 | J/mol×K | 1168.42 | Joback Calculated Property |
| Cp,gas | 912.56 | J/mol×K | 1208.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 4-nitrophenyl ester.
Sources
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