- InChI
- InChI=1S/C25H40/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/h9,12-14H,1,6,10-11,15-19H2,2-5,7-8H3/b23-14+,25-24+
- InChI Key
- IEKXMBNAKBHLFV-NSXTUZQOSA-N
- Formula
- C25H40
- SMILES
-
C=CC(=C)CCC(CCC(C)=CCC=C(C)C)=
C(C)CCC=C(C)C - Molecular Weight1
- 340.59
- 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 | 0.5963 | Relay (... Calculated Property | |
| ΔfG° | 604.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.90 | kJ/mol | Relay (... Calculated Property |
| IE | 7.59 | eV | Relay (... Calculated Property |
| log10WS | -7.38 | Relay (... Calculated Property | |
| logPoct/wat | 8.655 | Crippen Calculated Property | |
| McVol | 337.310 | ml/mol | McGowan Calculated Property |
| Pc | 920.50 | kPa | Joback Calculated Property |
| Inp | 2248.00 | NIST | |
| Tboil | 625.46 | K | Relay (... Calculated Property |
| Tc | 782.16 | K | Relay (... Calculated Property |
| Tfus | 242.99 | K | Relay (... Calculated Property |
| Vc | 1.152 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1000.39; 1114.08] | J/mol×K | [780.68; 973.27] | 
|
| Cp,gas | 1000.39 | J/mol×K | 780.68 | Joback Calculated Property |
| Cp,gas | 1021.36 | J/mol×K | 812.78 | Joback Calculated Property |
| Cp,gas | 1041.38 | J/mol×K | 844.88 | Joback Calculated Property |
| Cp,gas | 1060.56 | J/mol×K | 876.98 | Joback Calculated Property |
| Cp,gas | 1079.00 | J/mol×K | 909.08 | Joback Calculated Property |
| Cp,gas | 1096.81 | J/mol×K | 941.18 | Joback Calculated Property |
| Cp,gas | 1114.08 | J/mol×K | 973.27 | Joback Calculated Property |
Similar Compounds
Sources
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