- InChI
- InChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-17-19-24-28(27(29)26-22-21-23-26)25-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3
- InChI Key
- YHGKEQBZOSZHDA-UHFFFAOYSA-N
- Formula
- C27H53NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
C1CCC1 - 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 | 1.1237 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.677 | Crippen Calculated Property | |
| McVol | 391.980 | ml/mol | McGowan Calculated Property |
| Pc | 774.18 | kPa | Joback Calculated Property |
| Inp | [2919.00; 2919.00] |
|
|
| Inp | 2919.00 | NIST | |
| Inp | 2919.00 | NIST | |
| Tboil | 656.69 | K | Relay (1.0) Calculated Property |
| Tc | 873.68 | K | Relay (1.0) Calculated Property |
| Tfus | 318.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.510 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1351.17; 1474.54] | J/mol×K | [894.48; 1095.67] |
|
| Cp,gas | 1351.17 | J/mol×K | 894.48 | Joback Calculated Property |
| Cp,gas | 1374.67 | J/mol×K | 928.01 | Joback Calculated Property |
| Cp,gas | 1396.87 | J/mol×K | 961.54 | Joback Calculated Property |
| Cp,gas | 1417.86 | J/mol×K | 995.08 | Joback Calculated Property |
| Cp,gas | 1437.75 | J/mol×K | 1028.61 | Joback Calculated Property |
| Cp,gas | 1456.61 | J/mol×K | 1062.14 | Joback Calculated Property |
| Cp,gas | 1474.54 | J/mol×K | 1095.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxamide, N,N-diundecyl-.
Sources
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