- InChI
- InChI=1S/C20H29NO6/c1-5-7-18(14(2)3)27-20(23)9-6-8-19(22)26-13-16-10-11-17(21(24)25)15(4)12-16/h10-12,14,18H,5-9,13H2,1-4H3
- InChI Key
- FANXPNJBONPPMJ-UHFFFAOYSA-N
- Formula
- C20H29NO6
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCc1ccc([N+
](=O)[O-])c(C)c1)C(C)C - Molecular Weight1
- 379.45
- 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° | -226.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 4.485 | Crippen Calculated Property | |
| McVol | 301.200 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | 3084.00 | NIST | |
| Tboil | 997.18 | K | Joback Calculated Property |
| Tc | 1226.07 | K | Joback Calculated Property |
| Tfus | 624.55 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [987.92; 1041.47] | J/mol×K | [997.18; 1226.07] | 
|
| Cp,gas | 987.92 | J/mol×K | 997.18 | Joback Calculated Property |
| Cp,gas | 1000.35 | J/mol×K | 1035.33 | Joback Calculated Property |
| Cp,gas | 1011.33 | J/mol×K | 1073.48 | Joback Calculated Property |
| Cp,gas | 1020.91 | J/mol×K | 1111.63 | Joback Calculated Property |
| Cp,gas | 1029.10 | J/mol×K | 1149.77 | Joback Calculated Property |
| Cp,gas | 1035.94 | J/mol×K | 1187.92 | Joback Calculated Property |
| Cp,gas | 1041.47 | J/mol×K | 1226.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 3-methyl-4-nitrobenzyl ester.
Sources
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