- InChI
- InChI=1S/C26H52/c1-23(2)15-11-9-12-17-25(5,6)21-22-26(7,8)18-14-10-13-16-24(3,4)20-19-23/h9-22H2,1-8H3
- InChI Key
- JNSFDAQIIASDIH-UHFFFAOYSA-N
- Formula
- C26H52
- SMILES
-
CC1(C)CCCCCC(C)(C)CCC(C)(C)CCC
CCC(C)(C)CC1 - Molecular Weight1
- 364.69
- CAS
- 23014-57-5
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.4251 | Relay (... Calculated Property | |
| ΔfG° | 2.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.43 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -8.77 | Relay (... Calculated Property | |
| logPoct/wat | 9.566 | Crippen Calculated Property | |
| McVol | 366.340 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Tboil | 680.51 | K | Relay (... Calculated Property |
| Tc | 843.11 | K | Relay (... Calculated Property |
| Tfus | [438.00; 438.00] | K |
|
| Tfus | 438.00 ± 1.00 | K | NIST |
| Tfus | 438.00 ± 1.00 | K | NIST |
| Vc | 1.280 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1274.30; 1523.10] | J/mol×K | [852.02; 1104.40] |
|
| Cp,gas | 1274.30 | J/mol×K | 852.02 | Joback Calculated Property |
| Cp,gas | 1314.59 | J/mol×K | 894.08 | Joback Calculated Property |
| Cp,gas | 1354.73 | J/mol×K | 936.15 | Joback Calculated Property |
| Cp,gas | 1395.18 | J/mol×K | 978.21 | Joback Calculated Property |
| Cp,gas | 1436.41 | J/mol×K | 1020.27 | Joback Calculated Property |
| Cp,gas | 1478.89 | J/mol×K | 1062.33 | Joback Calculated Property |
| Cp,gas | 1523.10 | J/mol×K | 1104.40 | Joback Calculated Property |
| ΔfusH | [20.17; 20.17] | kJ/mol | [438.00; 438.20] |
|
| ΔfusH | 20.17 | kJ/mol | 438.00 | NIST |
| ΔfusH | 20.17 | kJ/mol | 438.20 | NIST |
| ΔfusS | 46.40 | J/mol×K | 438.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1,4,4,10,10,13,13-Octamethyl-cyclooctadecane.
Sources
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