- InChI
- InChI=1S/C27H46ClNO/c1-3-5-7-9-11-13-15-17-23-29(24-18-16-14-12-10-8-6-4-2)27(30)25-19-21-26(28)22-20-25/h19-22H,3-18,23-24H2,1-2H3
- InChI Key
- BBQCMDYVIAOYJI-UHFFFAOYSA-N
- Formula
- C27H46ClNO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
ccc(Cl)cc1 - Molecular Weight1
- 436.11
- 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 | 1.1536 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.064 | Crippen Calculated Property | |
| McVol | 391.320 | ml/mol | McGowan Calculated Property |
| Pc | 830.50 | kPa | Joback Calculated Property |
| Inp | [3148.00; 3148.00] |
|
|
| Inp | 3148.00 | NIST | |
| Inp | 3148.00 | NIST | |
| Tboil | 694.37 | K | Relay (1.0) Calculated Property |
| Tc | 898.46 | K | Relay (1.0) Calculated Property |
| Tfus | 320.48 | 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 | [1299.76; 1402.64] | J/mol×K | [952.56; 1166.43] |
|
| Cp,gas | 1299.76 | J/mol×K | 952.56 | Joback Calculated Property |
| Cp,gas | 1319.71 | J/mol×K | 988.21 | Joback Calculated Property |
| Cp,gas | 1338.42 | J/mol×K | 1023.85 | Joback Calculated Property |
| Cp,gas | 1355.97 | J/mol×K | 1059.50 | Joback Calculated Property |
| Cp,gas | 1372.46 | J/mol×K | 1095.14 | Joback Calculated Property |
| Cp,gas | 1387.99 | J/mol×K | 1130.79 | Joback Calculated Property |
| Cp,gas | 1402.64 | J/mol×K | 1166.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-didecyl-4-chloro-.
Sources
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