- InChI
- InChI=1S/C20H31NO3/c1-3-4-5-6-7-15-24-20(23)10-8-9-19(22)21-16-18-13-11-17(2)12-14-18/h11-14H,3-10,15-16H2,1-2H3,(H,21,22)
- InChI Key
- PUWCBVFGSFHTPO-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)NCc1ccc(C
)cc1 - Molecular Weight1
- 333.46
- 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 | 0.9646 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.295 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | 2737.00 | NIST | |
| Tboil | 661.48 | K | Relay (1.0) Calculated Property |
| Tc | 868.91 | K | Relay (1.0) Calculated Property |
| Tfus | 324.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.99; 986.96] | J/mol×K | [868.99; 1072.63] | 
|
| Cp,gas | 907.99 | J/mol×K | 868.99 | Joback Calculated Property |
| Cp,gas | 923.79 | J/mol×K | 902.93 | Joback Calculated Property |
| Cp,gas | 938.49 | J/mol×K | 936.87 | Joback Calculated Property |
| Cp,gas | 952.12 | J/mol×K | 970.81 | Joback Calculated Property |
| Cp,gas | 964.71 | J/mol×K | 1004.75 | Joback Calculated Property |
| Cp,gas | 976.31 | J/mol×K | 1038.69 | Joback Calculated Property |
| Cp,gas | 986.96 | J/mol×K | 1072.63 | Joback Calculated Property |
Similar Compounds
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Sources
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