- InChI
- InChI=1S/C95H192.C5H12/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-4-2/h3-95H2,1-2H3;3-5H2,1-2H3
- InChI Key
- REIKJBNDKRKDTM-UHFFFAOYSA-N
- Formula
- C100H204
- SMILES
-
CCCCC.CCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCC - Molecular Weight1
- 1406.73
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- 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 | 3.5575 | Relay (1.0) Calculated Property | |
| ΔfG° | 706.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2138.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 460.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -30.24 | Relay (1.0) Calculated Property | |
| Tboil | 1078.81 | K | Relay (1.0) Calculated Property |
| Tc | 1133.29 | K | Relay (1.0) Calculated Property |
| Tfus | [388.00; 388.40] | K |
|
| Tfus | 388.00 ± 1.00 | K | NIST |
| Tfus | 388.40 ± 0.30 | K | NIST |
| Vc | 5.463 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 331.80 | kJ/mol | 338.50 | NIST |
| ΔvapH | 198.50 | kJ/mol | 854.50 | NIST |
Similar Compounds
Find more compounds similar to hectane.
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.
- NIST Webbook
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