- InChI
- InChI=1S/C19H27NO6/c1-4-7-17(14(2)3)26-19(22)11-6-10-18(21)25-13-15-8-5-9-16(12-15)20(23)24/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
- InChI Key
- RVVZWLXMRHQYTK-UHFFFAOYSA-N
- Formula
- C19H27NO6
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCc1cccc([N
+](=O)[O-])c1)C(C)C - Molecular Weight1
- 365.42
- 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° | -225.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.176 | Crippen Calculated Property | |
| McVol | 287.110 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | 2757.00 | NIST | |
| Tboil | 969.32 | K | Joback Calculated Property |
| Tc | 1195.93 | K | Joback Calculated Property |
| Tfus | 600.76 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.05; 985.50] | J/mol×K | [969.32; 1195.93] | 
|
| Cp,gas | 930.05 | J/mol×K | 969.32 | Joback Calculated Property |
| Cp,gas | 942.58 | J/mol×K | 1007.09 | Joback Calculated Property |
| Cp,gas | 953.75 | J/mol×K | 1044.86 | Joback Calculated Property |
| Cp,gas | 963.59 | J/mol×K | 1082.62 | Joback Calculated Property |
| Cp,gas | 972.14 | J/mol×K | 1120.39 | Joback Calculated Property |
| Cp,gas | 979.43 | J/mol×K | 1158.16 | Joback Calculated Property |
| Cp,gas | 985.50 | J/mol×K | 1195.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 3-nitrobenzyl ester.
Sources
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