- InChI
- InChI=1S/C18H25NO6/c1-2-3-4-5-13-24-17(20)7-6-8-18(21)25-14-15-9-11-16(12-10-15)19(22)23/h9-12H,2-8,13-14H2,1H3
- InChI Key
- CFKNWUKCHBYXRF-UHFFFAOYSA-N
- Formula
- C18H25NO6
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1ccc([N
+](=O)[O-])cc1 - Molecular Weight1
- 351.39
- 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° | -228.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 3.932 | Crippen Calculated Property | |
| McVol | 273.020 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | 2749.00 | NIST | |
| Tboil | 947.32 | K | Joback Calculated Property |
| Tc | 1169.79 | K | Joback Calculated Property |
| Tfus | 619.49 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.47; 926.47] | J/mol×K | [947.32; 1169.79] | 
|
| Cp,gas | 870.47 | J/mol×K | 947.32 | Joback Calculated Property |
| Cp,gas | 882.84 | J/mol×K | 984.40 | Joback Calculated Property |
| Cp,gas | 893.96 | J/mol×K | 1021.48 | Joback Calculated Property |
| Cp,gas | 903.85 | J/mol×K | 1058.56 | Joback Calculated Property |
| Cp,gas | 912.55 | J/mol×K | 1095.64 | Joback Calculated Property |
| Cp,gas | 920.08 | J/mol×K | 1132.72 | Joback Calculated Property |
| Cp,gas | 926.47 | J/mol×K | 1169.79 | Joback Calculated Property |
Similar Compounds
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Sources
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