- InChI
- InChI=1S/C19H27NO7/c1-3-4-5-6-12-26-18(21)8-7-9-19(22)27-14-15-10-11-17(25-2)16(13-15)20(23)24/h10-11,13H,3-9,12,14H2,1-2H3
- InChI Key
- VACPZODGRBNLEY-UHFFFAOYSA-N
- Formula
- C19H27NO7
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1ccc(OC
)c([N+](=O)[O-])c1 - Molecular Weight1
- 381.42
- 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 | 1.1171 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -919.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.940 | Crippen Calculated Property | |
| McVol | 292.980 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | 2942.00 | NIST | |
| Tboil | 664.57 | K | Relay (1.0) Calculated Property |
| Tc | 896.52 | K | Relay (1.0) Calculated Property |
| Tfus | 307.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.073 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.95; 999.80] | J/mol×K | [997.60; 1224.60] | 
|
| Cp,gas | 953.95 | J/mol×K | 997.60 | Joback Calculated Property |
| Cp,gas | 965.34 | J/mol×K | 1035.43 | Joback Calculated Property |
| Cp,gas | 975.22 | J/mol×K | 1073.27 | Joback Calculated Property |
| Cp,gas | 983.60 | J/mol×K | 1111.10 | Joback Calculated Property |
| Cp,gas | 990.48 | J/mol×K | 1148.93 | Joback Calculated Property |
| Cp,gas | 995.88 | J/mol×K | 1186.76 | Joback Calculated Property |
| Cp,gas | 999.80 | J/mol×K | 1224.60 | Joback Calculated Property |
Similar Compounds
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Sources
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