- InChI
- InChI=1S/C19H25NO6/c21-18(25-13-15-6-2-1-3-7-15)10-5-11-19(22)26-14-16-8-4-9-17(12-16)20(23)24/h4,8-9,12,15H,1-3,5-7,10-11,13-14H2
- InChI Key
- BGZGBVYTBNZDND-UHFFFAOYSA-N
- Formula
- C19H25NO6
- SMILES
-
O=C(CCCC(=O)OCC1CCCCC1)OCc1ccc
c([N+](=O)[O-])c1 - Molecular Weight1
- 363.40
- 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° | -195.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 3.932 | Crippen Calculated Property | |
| McVol | 276.250 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | 2971.00 | NIST | |
| Tboil | 989.75 | K | Joback Calculated Property |
| Tc | 1230.32 | K | Joback Calculated Property |
| Tfus | 638.14 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [921.07; 970.20] | J/mol×K | [989.75; 1230.32] | 
|
| Cp,gas | 921.07 | J/mol×K | 989.75 | Joback Calculated Property |
| Cp,gas | 933.22 | J/mol×K | 1029.85 | Joback Calculated Property |
| Cp,gas | 943.73 | J/mol×K | 1069.94 | Joback Calculated Property |
| Cp,gas | 952.63 | J/mol×K | 1110.04 | Joback Calculated Property |
| Cp,gas | 959.98 | J/mol×K | 1150.13 | Joback Calculated Property |
| Cp,gas | 965.82 | J/mol×K | 1190.23 | Joback Calculated Property |
| Cp,gas | 970.20 | J/mol×K | 1230.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-nitrobenzyl ester.
Sources
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