- InChI
- InChI=1S/C27H46/c1-9-24(6)20-21-27(26(8)18-13-15-23(4)5)19-11-10-16-25(7)17-12-14-22(2)3/h9,14-16,24,27H,1,8,10-13,17-21H2,2-7H3/b25-16+
- InChI Key
- ZWDJPIIGWKVHAH-PCLIKHOPSA-N
- Formula
- C27H46
- SMILES
-
C=CC(C)CCC(CCCC=C(C)CCC=C(C)C)
C(=C)CCC=C(C)C - Molecular Weight1
- 370.65
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 553.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.77 | kJ/mol | Joback Calculated Property |
| log10WS | -9.91 | Crippen Calculated Property | |
| logPoct/wat | 9.370 | Crippen Calculated Property | |
| McVol | 369.790 | ml/mol | McGowan Calculated Property |
| Pc | 800.69 | kPa | Joback Calculated Property |
| Inp | 2174.00 | NIST | |
| Tboil | 821.64 | K | Joback Calculated Property |
| Tc | 1012.71 | K | Joback Calculated Property |
| Tfus | 289.45 | K | Joback Calculated Property |
| Vc | 1.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.16; 1270.64] | J/mol×K | [821.64; 1012.71] | 
|
| Cp,gas | 1151.16 | J/mol×K | 821.64 | Joback Calculated Property |
| Cp,gas | 1173.27 | J/mol×K | 853.48 | Joback Calculated Property |
| Cp,gas | 1194.37 | J/mol×K | 885.33 | Joback Calculated Property |
| Cp,gas | 1214.56 | J/mol×K | 917.17 | Joback Calculated Property |
| Cp,gas | 1233.94 | J/mol×K | 949.02 | Joback Calculated Property |
| Cp,gas | 1252.60 | J/mol×K | 980.86 | Joback Calculated Property |
| Cp,gas | 1270.64 | J/mol×K | 1012.71 | Joback Calculated Property |
Similar Compounds
Sources
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