- InChI
- InChI=1S/C29H57NO/c1-3-5-7-9-11-13-15-17-22-26-30(29(31)28-24-20-19-21-25-28)27-23-18-16-14-12-10-8-6-4-2/h28H,3-27H2,1-2H3
- InChI Key
- YGERWCQDZWAOHT-UHFFFAOYSA-N
- Formula
- C29H57NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
C1CCCCC1 - Molecular Weight1
- 435.77
- 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 | 1.1349 | Relay (1.0) Calculated Property | |
| ΔfG° | 199.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.457 | Crippen Calculated Property | |
| McVol | 420.160 | ml/mol | McGowan Calculated Property |
| Pc | 716.45 | kPa | Joback Calculated Property |
| Inp | [3257.00; 3257.00] |
|
|
| Inp | 3257.00 | NIST | |
| Inp | 3257.00 | NIST | |
| Tboil | 682.22 | K | Relay (1.0) Calculated Property |
| Tc | 896.76 | K | Relay (1.0) Calculated Property |
| Tfus | 326.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.591 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1493.41; 1616.86] | J/mol×K | [948.78; 1163.94] |
|
| Cp,gas | 1493.41 | J/mol×K | 948.78 | Joback Calculated Property |
| Cp,gas | 1517.69 | J/mol×K | 984.64 | Joback Calculated Property |
| Cp,gas | 1540.35 | J/mol×K | 1020.50 | Joback Calculated Property |
| Cp,gas | 1561.50 | J/mol×K | 1056.36 | Joback Calculated Property |
| Cp,gas | 1581.23 | J/mol×K | 1092.22 | Joback Calculated Property |
| Cp,gas | 1599.65 | J/mol×K | 1128.08 | Joback Calculated Property |
| Cp,gas | 1616.86 | J/mol×K | 1163.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N,N-diundecyl-.
Sources
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