- InChI
- InChI=1S/C16H20N2O8/c1-2-3-7-25-15(19)5-4-6-16(20)26-11-12-8-13(17(21)22)10-14(9-12)18(23)24/h8-10H,2-7,11H2,1H3
- InChI Key
- UFNZDLPMUMFOST-UHFFFAOYSA-N
- Formula
- C16H20N2O8
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1cc([N+](
=O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 368.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0907 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.060 | Crippen Calculated Property | |
| McVol | 262.260 | ml/mol | McGowan Calculated Property |
| Pc | 1830.98 | kPa | Joback Calculated Property |
| Inp | [2802.00; 2802.00] |
|
|
| Inp | 2802.00 | NIST | |
| Inp | 2802.00 | NIST | |
| Tboil | 640.32 | K | Relay (1.0) Calculated Property |
| Tc | 915.50 | K | Relay (1.0) Calculated Property |
| Tfus | 310.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.39; 868.01] | J/mol×K | [1058.38; 1303.94] |
|
| Cp,gas | 841.39 | J/mol×K | 1058.38 | Joback Calculated Property |
| Cp,gas | 849.26 | J/mol×K | 1099.31 | Joback Calculated Property |
| Cp,gas | 855.72 | J/mol×K | 1140.23 | Joback Calculated Property |
| Cp,gas | 860.80 | J/mol×K | 1181.16 | Joback Calculated Property |
| Cp,gas | 864.52 | J/mol×K | 1222.09 | Joback Calculated Property |
| Cp,gas | 866.91 | J/mol×K | 1263.01 | Joback Calculated Property |
| Cp,gas | 868.01 | J/mol×K | 1303.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 3,5-dinitrobenzyl ester.
Sources
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