- InChI
- InChI=1S/C17H23NO7/c1-13(2)12-25-17(20)5-3-4-16(19)24-11-10-23-15-8-6-14(7-9-15)18(21)22/h6-9,13H,3-5,10-12H2,1-2H3
- InChI Key
- ILMMPEMFRRYAJI-UHFFFAOYSA-N
- Formula
- C17H23NO7
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCCOc1ccc(
[N+](=O)[O-])cc1 - Molecular Weight1
- 353.37
- 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° | -344.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 2.886 | Crippen Calculated Property | |
| McVol | 264.800 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | 2763.00 | NIST | |
| Tboil | 946.42 | K | Joback Calculated Property |
| Tc | 1171.08 | K | Joback Calculated Property |
| Tfus | 615.45 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.08; 887.59] | J/mol×K | [946.42; 1171.08] | 
|
| Cp,gas | 839.08 | J/mol×K | 946.42 | Joback Calculated Property |
| Cp,gas | 850.58 | J/mol×K | 983.86 | Joback Calculated Property |
| Cp,gas | 860.71 | J/mol×K | 1021.31 | Joback Calculated Property |
| Cp,gas | 869.46 | J/mol×K | 1058.75 | Joback Calculated Property |
| Cp,gas | 876.86 | J/mol×K | 1096.20 | Joback Calculated Property |
| Cp,gas | 882.89 | J/mol×K | 1133.64 | Joback Calculated Property |
| Cp,gas | 887.59 | J/mol×K | 1171.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2-(4-nitrophenoxy)ethyl ester.
Sources
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