- InChI
- InChI=1S/C28H40/c1-18-12-14-26(4)16-17-28(6)24(25(26)20(18)3)11-10-23-22-9-7-8-19(2)21(22)13-15-27(23,28)5/h7-9,11,18,20,23,25H,10,12-17H2,1-6H3
- InChI Key
- CPRUTHPUWILGGA-UHFFFAOYSA-N
- Formula
- C28H40
- SMILES
-
Cc1cccc2c1CCC1(C)C2CC=C2C3C(C)
C(C)CCC3(C)CCC21C - Molecular Weight1
- 376.62
- 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 | 0.4939 | Relay (... Calculated Property | |
| ΔfG° | 453.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.84 | kJ/mol | Relay (... Calculated Property |
| IE | 7.39 | eV | Relay (... Calculated Property |
| log10WS | -7.40 | Relay (... Calculated Property | |
| logPoct/wat | 7.850 | Crippen Calculated Property | |
| McVol | 333.880 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | 2970.25 | NIST | |
| Tboil | 692.49 | K | Relay (... Calculated Property |
| Tc | 968.81 | K | Relay (... Calculated Property |
| Tfus | 423.64 | K | Relay (... Calculated Property |
| Vc | 1.210 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.01; 1442.17] | J/mol×K | [911.57; 1160.27] | 
|
| Cp,gas | 1196.01 | J/mol×K | 911.57 | Joback Calculated Property |
| Cp,gas | 1231.18 | J/mol×K | 953.02 | Joback Calculated Property |
| Cp,gas | 1267.91 | J/mol×K | 994.47 | Joback Calculated Property |
| Cp,gas | 1306.79 | J/mol×K | 1035.92 | Joback Calculated Property |
| Cp,gas | 1348.41 | J/mol×K | 1077.37 | Joback Calculated Property |
| Cp,gas | 1393.34 | J/mol×K | 1118.82 | Joback Calculated Property |
| Cp,gas | 1442.17 | J/mol×K | 1160.27 | Joback Calculated Property |
Similar Compounds
Sources
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