- InChI
- InChI=1S/C20H29NO7/c1-5-7-17(14(2)3)28-20(23)9-6-8-19(22)27-13-15-10-11-18(26-4)16(12-15)21(24)25/h10-12,14,17H,5-9,13H2,1-4H3
- InChI Key
- SBRDMBLPEXVPEJ-UHFFFAOYSA-N
- Formula
- C20H29NO7
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCc1ccc(OC)
c([N+](=O)[O-])c1)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° | -331.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -885.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 4.185 | Crippen Calculated Property | |
| McVol | 307.070 | ml/mol | McGowan Calculated Property |
| Pc | 1337.84 | kPa | Joback Calculated Property |
| Inp | 2900.00 | NIST | |
| Tboil | 1019.60 | K | Joback Calculated Property |
| Tc | 1251.02 | K | Joback Calculated Property |
| Tfus | 646.78 | K | Joback Calculated Property |
| Vc | 1.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.77; 1057.24] | J/mol×K | [1019.60; 1251.02] | 
|
| Cp,gas | 1013.77 | J/mol×K | 1019.60 | Joback Calculated Property |
| Cp,gas | 1025.08 | J/mol×K | 1058.17 | Joback Calculated Property |
| Cp,gas | 1034.75 | J/mol×K | 1096.74 | Joback Calculated Property |
| Cp,gas | 1042.78 | J/mol×K | 1135.31 | Joback Calculated Property |
| Cp,gas | 1049.20 | J/mol×K | 1173.88 | Joback Calculated Property |
| Cp,gas | 1054.02 | J/mol×K | 1212.45 | Joback Calculated Property |
| Cp,gas | 1057.24 | J/mol×K | 1251.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 3-nitro-4-methoxybenzyl ester.
Sources
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