- InChI
- InChI=1S/C25H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)20-21-26-25(28)23(2)3/h23H,4-22H2,1-3H3,(H,26,28)
- InChI Key
- ZXNDCWQUKBGJPR-UHFFFAOYSA-N
- Formula
- C25H49NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCNC(=
O)C(C)C - Molecular Weight1
- 411.66
- 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 | 1.1950 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.953 | Crippen Calculated Property | |
| McVol | 382.100 | ml/mol | McGowan Calculated Property |
| Pc | 821.95 | kPa | Joback Calculated Property |
| Inp | 3166.00 | NIST | |
| Tboil | 642.28 | K | Relay (1.0) Calculated Property |
| Tc | 850.59 | K | Relay (1.0) Calculated Property |
| Tfus | 335.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1315.74; 1418.08] | J/mol×K | [951.29; 1169.40] | 
|
| Cp,gas | 1315.74 | J/mol×K | 951.29 | Joback Calculated Property |
| Cp,gas | 1336.40 | J/mol×K | 987.64 | Joback Calculated Property |
| Cp,gas | 1355.53 | J/mol×K | 1023.99 | Joback Calculated Property |
| Cp,gas | 1373.20 | J/mol×K | 1060.34 | Joback Calculated Property |
| Cp,gas | 1389.47 | J/mol×K | 1096.69 | Joback Calculated Property |
| Cp,gas | 1404.41 | J/mol×K | 1133.04 | Joback Calculated Property |
| Cp,gas | 1418.08 | J/mol×K | 1169.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, octadecyl ester.
Sources
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