- InChI
- InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,17-18,21-22,24H,1,10-11,13-16,19H2,2-8H3/b23-17+,25-18-
- InChI Key
- NGTHMXZCVWHQKA-UFOJFEDMSA-N
- Formula
- C25H44
- SMILES
-
C=CC(C)CC=C(CC=C(C)CCC=C(C)C)C
(C)CCCC(C)C - Molecular Weight1
- 344.62
- 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 | 0.6035 | Relay (... Calculated Property | |
| ΔfG° | 455.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.95 | kJ/mol | Relay (... Calculated Property |
| IE | 7.98 | eV | Relay (... Calculated Property |
| log10WS | -8.20 | Relay (... Calculated Property | |
| logPoct/wat | 8.670 | Crippen Calculated Property | |
| McVol | 345.910 | ml/mol | McGowan Calculated Property |
| Pc | 874.80 | kPa | Joback Calculated Property |
| Inp | [2121.00; 2130.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 622.83 | K | Relay (... Calculated Property |
| Tc | 763.63 | K | Relay (... Calculated Property |
| Tfus | 235.34 | K | Relay (... Calculated Property |
| Vc | 1.194 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1053.63; 1171.47] | J/mol×K | [778.88; 966.44] |
|
| Cp,gas | 1053.63 | J/mol×K | 778.88 | Joback Calculated Property |
| Cp,gas | 1075.61 | J/mol×K | 810.14 | Joback Calculated Property |
| Cp,gas | 1096.54 | J/mol×K | 841.40 | Joback Calculated Property |
| Cp,gas | 1116.50 | J/mol×K | 872.66 | Joback Calculated Property |
| Cp,gas | 1135.60 | J/mol×K | 903.92 | Joback Calculated Property |
| Cp,gas | 1153.89 | J/mol×K | 935.18 | Joback Calculated Property |
| Cp,gas | 1171.47 | J/mol×K | 966.44 | Joback Calculated Property |
Similar Compounds
Sources
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