- InChI
- InChI=1S/C22H33NO5/c1-4-6-8-10-20(24)23-19(22(26)27-3)16-17-12-14-18(15-13-17)28-21(25)11-9-7-5-2/h12-15,19H,4-11,16H2,1-3H3,(H,23,24)
- InChI Key
- BCGBTZOAIWRNEC-UHFFFAOYSA-N
- Formula
- C22H33NO5
- SMILES
-
CCCCCC(=O)NC(Cc1ccc(OC(=O)CCCC
C)cc1)C(=O)OC - Molecular Weight1
- 391.50
- 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 | 1.0581 | Relay (1.0) Calculated Property | |
| ΔfG° | -272.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.953 | Crippen Calculated Property | |
| McVol | 323.510 | ml/mol | McGowan Calculated Property |
| Pc | 1241.58 | kPa | Joback Calculated Property |
| Inp | 3143.00 | NIST | |
| Tboil | 654.05 | K | Relay (1.0) Calculated Property |
| Tc | 892.99 | K | Relay (1.0) Calculated Property |
| Tfus | 336.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.171 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.64; 1131.79] | J/mol×K | [990.60; 1213.12] | 
|
| Cp,gas | 1070.64 | J/mol×K | 990.60 | Joback Calculated Property |
| Cp,gas | 1084.33 | J/mol×K | 1027.69 | Joback Calculated Property |
| Cp,gas | 1096.57 | J/mol×K | 1064.77 | Joback Calculated Property |
| Cp,gas | 1107.40 | J/mol×K | 1101.86 | Joback Calculated Property |
| Cp,gas | 1116.85 | J/mol×K | 1138.94 | Joback Calculated Property |
| Cp,gas | 1124.97 | J/mol×K | 1176.03 | Joback Calculated Property |
| Cp,gas | 1131.79 | J/mol×K | 1213.12 | Joback Calculated Property |
Similar Compounds
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Sources
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