- InChI
- InChI=1S/C28H40/c1-19-8-7-9-21-20(19)12-13-27(5)22(21)10-11-23-24-18-25(2,3)14-15-26(24,4)16-17-28(23,27)6/h7-9,11,22,24H,10,12-18H2,1-6H3
- InChI Key
- LLJZJNHOOHQEGE-UHFFFAOYSA-N
- Formula
- C28H40
- SMILES
-
Cc1cccc2c1CCC1(C)C2CC=C2C3CC(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 | 0.4996 | Relay (... Calculated Property | |
| ΔfG° | 455.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.36 | kJ/mol | Relay (... Calculated Property |
| IE | 7.51 | eV | Relay (... Calculated Property |
| log10WS | -7.61 | Relay (... Calculated Property | |
| logPoct/wat | 7.994 | Crippen Calculated Property | |
| McVol | 333.880 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Inp | 3013.08 | NIST | |
| Tboil | 696.35 | K | Relay (... Calculated Property |
| Tc | 967.27 | K | Relay (... Calculated Property |
| Tfus | 435.63 | K | Relay (... Calculated Property |
| Vc | 1.233 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1193.22; 1491.54] | J/mol×K | [916.48; 1172.05] | 
|
| Cp,gas | 1193.22 | J/mol×K | 916.48 | Joback Calculated Property |
| Cp,gas | 1232.78 | J/mol×K | 959.07 | Joback Calculated Property |
| Cp,gas | 1275.36 | J/mol×K | 1001.67 | Joback Calculated Property |
| Cp,gas | 1321.75 | J/mol×K | 1044.26 | Joback Calculated Property |
| Cp,gas | 1372.72 | J/mol×K | 1086.86 | Joback Calculated Property |
| Cp,gas | 1429.05 | J/mol×K | 1129.45 | Joback Calculated Property |
| Cp,gas | 1491.54 | J/mol×K | 1172.05 | Joback Calculated Property |
Similar Compounds
Sources
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