- InChI
- InChI=1S/C31H55NO/c1-4-7-10-12-14-16-18-20-27-32(28-21-19-17-15-13-11-8-5-2)31(33)30-25-23-29(24-26-30)22-9-6-3/h23-26H,4-22,27-28H2,1-3H3
- InChI Key
- KCPZMQXUCJUWGY-UHFFFAOYSA-N
- Formula
- C31H55NO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
ccc(CCCC)cc1 - Molecular Weight1
- 457.79
- 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 | 1.2719 | Relay (1.0) Calculated Property | |
| ΔfG° | 294.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.753 | Crippen Calculated Property | |
| McVol | 435.440 | ml/mol | McGowan Calculated Property |
| Pc | 686.37 | kPa | Joback Calculated Property |
| Inp | [3700.00; 3700.00] |
|
|
| Inp | 3700.00 | NIST | |
| Inp | 3700.00 | NIST | |
| Tboil | 713.28 | K | Relay (1.0) Calculated Property |
| Tc | 913.61 | K | Relay (1.0) Calculated Property |
| Tfus | 297.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.656 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.84; 1524.13] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.82290e+01 | |||
| Coefficient B | 2.90636e+00 | |||
| Coefficient C | -1.72066e-03 | |||
| Coefficient D | 3.86660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 624.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 781.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 921.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1045.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1154.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1250.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1334.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1406.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1469.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1524.13 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-didecyl-4-butyl-.
Sources
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