- InChI
- InChI=1S/C29H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-29(32)27-23-22-25-20-17-18-21-26(25)28(27)31/h17-18,20-23,31H,2-16,19,24H2,1H3,(H,30,32)
- InChI Key
- BKWIMUORHSANHY-UHFFFAOYSA-N
- Formula
- C29H45NO2
- SMILES
-
CCCCCCCCCCCCCCCCCCN=C(O)c1ccc2
ccccc2c1O - Molecular Weight1
- 439.67
- CAS
- 20043-92-9
- Other Names
-
- 1-hydroxy-N-octadecylnaphthalene-2-carboxamide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 1.4415 | Relay (1.0) Calculated Property | |
| ΔfG° | 154.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -575.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 177.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.111 | Crippen Calculated Property | |
| McVol | 393.670 | ml/mol | McGowan Calculated Property |
| Pc | 918.27 | kPa | Joback Calculated Property |
| Tboil | 733.66 | K | Relay (1.0) Calculated Property |
| Tc | 1017.19 | K | Relay (1.0) Calculated Property |
| Tfus | 407.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.458 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthamide, 1-hydroxy-n-octadecyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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