- InChI
- InChI=1S/C94H190/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-94H2,1-2H3
- InChI Key
- YDJDWTABIISOAQ-UHFFFAOYSA-N
- Formula
- C94H190
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCC - Molecular Weight1
- 1320.51
- CAS
- 1574-32-9
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 3.4629 | Relay (1.0) Calculated Property | |
| ΔfG° | 682.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1976.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 447.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -28.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 36.915 | Crippen Calculated Property | |
| McVol | 1335.320 | ml/mol | McGowan Calculated Property |
| Pc | -4061.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 1029.55 | K | Relay (1.0) Calculated Property |
| Tc | 1111.51 | K | Relay (1.0) Calculated Property |
| Tfus | [387.40; 387.65] | K |
|
| Tfus | 387.40 ± 2.00 | K | NIST |
| Tfus | 387.65 ± 0.50 | K | NIST |
| Vc | 5.194 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 194.50 | kJ/mol | 845.50 | NIST |
Similar Compounds
Find more compounds similar to Tetranonacontane.
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
- McGowan Method
- NIST Webbook
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