- InChI
- InChI=1S/C20H29NO7/c1-4-6-18(15(2)3)28-20(23)8-5-7-19(22)27-14-13-26-17-11-9-16(10-12-17)21(24)25/h9-12,15,18H,4-8,13-14H2,1-3H3
- InChI Key
- LVZGUAWZFLXNRC-UHFFFAOYSA-N
- Formula
- C20H29NO7
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCCOc1ccc([
N+](=O)[O-])cc1)C(C)C - Molecular Weight1
- 395.45
- 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° | -321.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.055 | Crippen Calculated Property | |
| McVol | 307.070 | ml/mol | McGowan Calculated Property |
| Pc | 1352.64 | kPa | Joback Calculated Property |
| Inp | 2963.00 | NIST | |
| Tboil | 1014.62 | K | Joback Calculated Property |
| Tc | 1245.08 | K | Joback Calculated Property |
| Tfus | 634.26 | K | Joback Calculated Property |
| Vc | 1.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.23; 1060.74] | J/mol×K | [1014.62; 1245.08] | 
|
| Cp,gas | 1015.23 | J/mol×K | 1014.62 | Joback Calculated Property |
| Cp,gas | 1026.74 | J/mol×K | 1053.03 | Joback Calculated Property |
| Cp,gas | 1036.65 | J/mol×K | 1091.44 | Joback Calculated Property |
| Cp,gas | 1044.98 | J/mol×K | 1129.85 | Joback Calculated Property |
| Cp,gas | 1051.76 | J/mol×K | 1168.26 | Joback Calculated Property |
| Cp,gas | 1057.01 | J/mol×K | 1206.67 | Joback Calculated Property |
| Cp,gas | 1060.74 | J/mol×K | 1245.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2-(4-nitrophenoxy)ethyl ester.
Sources
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