- InChI
- InChI=1S/C30H53NO/c1-3-5-7-9-11-13-15-17-22-26-31(30(32)28-29-24-20-19-21-25-29)27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25H,3-18,22-23,26-28H2,1-2H3
- InChI Key
- UFECKRKOXAPZFG-UHFFFAOYSA-N
- Formula
- C30H53NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
Cc1ccccc1 - Molecular Weight1
- 443.75
- 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 | 1.2076 | Relay (1.0) Calculated Property | |
| ΔfG° | 295.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.119 | Crippen Calculated Property | |
| McVol | 421.350 | ml/mol | McGowan Calculated Property |
| Pc | 728.10 | kPa | Joback Calculated Property |
| Inp | 3554.00 | NIST | |
| Tboil | 694.00 | K | Relay (1.0) Calculated Property |
| Tc | 904.86 | K | Relay (1.0) Calculated Property |
| Tfus | 314.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.596 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.07; 1475.58] | 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 | -6.16190e+01 | |||
| Coefficient B | 2.87084e+00 | |||
| Coefficient C | -1.73330e-03 | |||
| Coefficient D | 3.99660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 601.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 754.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 891.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1012.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1118.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1211.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1292.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1362.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1423.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1475.58 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetamide, N,N-diundecyl-.
Sources
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