- InChI
- InChI=1S/C25H46/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/h9,17-18,20-22,24H,1,10-16,19H2,2-8H3/b23-17-,25-18-
- InChI Key
- MRPCXANBZDEYCG-MXFBBLCESA-N
- Formula
- C25H46
- SMILES
-
C=CC(C)CC=C(CC=C(C)CCCC(C)C)C(
C)CCCC(C)C - Molecular Weight1
- 346.63
- 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 | 0.6584 | Relay (... Calculated Property | |
| ΔfG° | 381.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -8.53 | Relay (... Calculated Property | |
| logPoct/wat | 8.750 | Crippen Calculated Property | |
| McVol | 350.210 | ml/mol | McGowan Calculated Property |
| Pc | 849.99 | kPa | Joback Calculated Property |
| Inp | [2042.00; 2044.00] |
|
|
| Inp | 2042.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Inp | 2042.00 | NIST | |
| Tboil | 618.79 | K | Relay (... Calculated Property |
| Tc | 762.53 | K | Relay (... Calculated Property |
| Tfus | 235.38 | K | Relay (... Calculated Property |
| Vc | 1.236 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1078.38; 1198.16] | J/mol×K | [774.40; 958.36] |
|
| Cp,gas | 1078.38 | J/mol×K | 774.40 | Joback Calculated Property |
| Cp,gas | 1100.83 | J/mol×K | 805.06 | Joback Calculated Property |
| Cp,gas | 1122.19 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 1142.53 | J/mol×K | 866.38 | Joback Calculated Property |
| Cp,gas | 1161.93 | J/mol×K | 897.04 | Joback Calculated Property |
| Cp,gas | 1180.45 | J/mol×K | 927.70 | Joback Calculated Property |
| Cp,gas | 1198.16 | J/mol×K | 958.36 | Joback Calculated Property |
Similar Compounds
Sources
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