- InChI
- InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-24-23(26)21(2)3/h21H,4-20H2,1-3H3,(H,24,26)
- InChI Key
- KBFKGMGKZVLMFL-UHFFFAOYSA-N
- Formula
- C23H45NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)
C(C)C - Molecular Weight1
- 383.61
- 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 | 1.1247 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -970.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.173 | Crippen Calculated Property | |
| McVol | 353.920 | ml/mol | McGowan Calculated Property |
| Pc | 920.50 | kPa | Joback Calculated Property |
| Inp | 2849.00 | NIST | |
| Tboil | 629.26 | K | Relay (1.0) Calculated Property |
| Tc | 836.51 | K | Relay (1.0) Calculated Property |
| Tfus | 330.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.356 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.77; 1287.19] | J/mol×K | [905.53; 1109.16] | 
|
| Cp,gas | 1188.77 | J/mol×K | 905.53 | Joback Calculated Property |
| Cp,gas | 1208.29 | J/mol×K | 939.47 | Joback Calculated Property |
| Cp,gas | 1226.50 | J/mol×K | 973.41 | Joback Calculated Property |
| Cp,gas | 1243.45 | J/mol×K | 1007.34 | Joback Calculated Property |
| Cp,gas | 1259.18 | J/mol×K | 1041.28 | Joback Calculated Property |
| Cp,gas | 1273.75 | J/mol×K | 1075.22 | Joback Calculated Property |
| Cp,gas | 1287.19 | J/mol×K | 1109.16 | Joback Calculated Property |
Similar Compounds
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Sources
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