- InChI
- InChI=1S/C29H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-26-30(25-9-6-3)29(31)28-23-21-27(22-24-28)20-8-5-2/h21-24H,4-20,25-26H2,1-3H3
- InChI Key
- XRWIPWXAGZMEOH-UHFFFAOYSA-N
- Formula
- C29H51NO
- SMILES
-
CCCCCCCCCCCCCCN(CCCC)C(=O)c1cc
c(CCCC)cc1 - Molecular Weight1
- 429.72
- 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 | 1.2038 | Relay (1.0) Calculated Property | |
| ΔfG° | 277.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.973 | Crippen Calculated Property | |
| McVol | 407.260 | ml/mol | McGowan Calculated Property |
| Pc | 761.00 | kPa | Joback Calculated Property |
| Inp | [2058.00; 2058.00] |
|
|
| Inp | 2058.00 | NIST | |
| Inp | 2058.00 | NIST | |
| Tboil | 699.96 | K | Relay (1.0) Calculated Property |
| Tc | 903.04 | K | Relay (1.0) Calculated Property |
| Tfus | 285.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.547 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.41; 1420.95] | 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 | -4.64110e+01 | |||
| Coefficient B | 2.71636e+00 | |||
| Coefficient C | -1.61186e-03 | |||
| Coefficient D | 3.62860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 582.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 728.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 859.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 975.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1076.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1166.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1244.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1311.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1370.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1420.95 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-butyl-N-tetradecyl-.
Sources
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