- InChI
- InChI=1S/C20H29NO6/c1-4-8-18(15(2)3)27-20(23)12-7-11-19(22)26-14-13-16-9-5-6-10-17(16)21(24)25/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
- InChI Key
- LABUEBFFQUWBLX-UHFFFAOYSA-N
- Formula
- C20H29NO6
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCCc1ccccc1
[N+](=O)[O-])C(C)C - Molecular Weight1
- 379.45
- 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 | 1.0137 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -831.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.219 | Crippen Calculated Property | |
| McVol | 301.200 | ml/mol | McGowan Calculated Property |
| Pc | 1369.71 | kPa | Joback Calculated Property |
| Inp | 2747.00 | NIST | |
| Tboil | 662.55 | K | Relay (1.0) Calculated Property |
| Tc | 887.18 | K | Relay (1.0) Calculated Property |
| Tfus | 290.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.076 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.23; 1044.40] | J/mol×K | [992.20; 1220.18] | 
|
| Cp,gas | 989.23 | J/mol×K | 992.20 | Joback Calculated Property |
| Cp,gas | 1001.81 | J/mol×K | 1030.20 | Joback Calculated Property |
| Cp,gas | 1012.99 | J/mol×K | 1068.19 | Joback Calculated Property |
| Cp,gas | 1022.80 | J/mol×K | 1106.19 | Joback Calculated Property |
| Cp,gas | 1031.27 | J/mol×K | 1144.19 | Joback Calculated Property |
| Cp,gas | 1038.46 | J/mol×K | 1182.18 | Joback Calculated Property |
| Cp,gas | 1044.40 | J/mol×K | 1220.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2-(2-nitrophenyl)ethyl ester.
Sources
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