- InChI
- InChI=1S/C27H53NO/c1-5-7-9-11-13-15-17-19-21-23-28(27(29)25-26(3)4)24-22-20-18-16-14-12-10-8-6-2/h25H,5-24H2,1-4H3
- InChI Key
- LDIPDNMMBQTOMM-UHFFFAOYSA-N
- Formula
- C27H53NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
C=C(C)C - Molecular Weight1
- 407.72
- 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 | 1.1252 | Relay (1.0) Calculated Property | |
| ΔfG° | 229.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.843 | Crippen Calculated Property | |
| McVol | 398.540 | ml/mol | McGowan Calculated Property |
| Pc | 733.63 | kPa | Joback Calculated Property |
| Inp | [2906.00; 2906.00] |
|
|
| Inp | 2906.00 | NIST | |
| Inp | 2906.00 | NIST | |
| Tboil | 647.97 | K | Relay (1.0) Calculated Property |
| Tc | 850.40 | K | Relay (1.0) Calculated Property |
| Tfus | 316.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.527 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1334.85; 1457.69] | J/mol×K | [887.51; 1087.87] |
|
| Cp,gas | 1334.85 | J/mol×K | 887.51 | Joback Calculated Property |
| Cp,gas | 1358.13 | J/mol×K | 920.90 | Joback Calculated Property |
| Cp,gas | 1380.16 | J/mol×K | 954.30 | Joback Calculated Property |
| Cp,gas | 1401.05 | J/mol×K | 987.69 | Joback Calculated Property |
| Cp,gas | 1420.88 | J/mol×K | 1021.09 | Joback Calculated Property |
| Cp,gas | 1439.73 | J/mol×K | 1054.48 | Joback Calculated Property |
| Cp,gas | 1457.69 | J/mol×K | 1087.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to But-2-enamide, N,N-diundecyl-3-methyl-.
Sources
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