- InChI
- InChI=1S/C30H59NO/c1-3-5-7-9-11-13-15-17-21-27-31(30(32)26-25-29-23-19-20-24-29)28-22-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
- InChI Key
- PBPMNMAUVKULPK-UHFFFAOYSA-N
- Formula
- C30H59NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
CCC1CCCC1 - Molecular Weight1
- 449.80
- 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 | 1.1897 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.847 | Crippen Calculated Property | |
| McVol | 434.250 | ml/mol | McGowan Calculated Property |
| Pc | 672.20 | kPa | Joback Calculated Property |
| Inp | [3505.00; 3505.00] |
|
|
| Inp | 3505.00 | NIST | |
| Inp | 3505.00 | NIST | |
| Tboil | 692.38 | K | Relay (1.0) Calculated Property |
| Tc | 896.24 | K | Relay (1.0) Calculated Property |
| Tfus | 306.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.654 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1555.13; 1685.63] | J/mol×K | [967.39; 1191.22] |
|
| Cp,gas | 1555.13 | J/mol×K | 967.39 | Joback Calculated Property |
| Cp,gas | 1580.50 | J/mol×K | 1004.69 | Joback Calculated Property |
| Cp,gas | 1604.26 | J/mol×K | 1042.00 | Joback Calculated Property |
| Cp,gas | 1626.52 | J/mol×K | 1079.30 | Joback Calculated Property |
| Cp,gas | 1647.42 | J/mol×K | 1116.61 | Joback Calculated Property |
| Cp,gas | 1667.08 | J/mol×K | 1153.91 | Joback Calculated Property |
| Cp,gas | 1685.63 | J/mol×K | 1191.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diundecyl-3-cyclopentyl-.
Sources
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