- InChI
- InChI=1S/C22H36O2/c1-17(2)10-8-12-19(5)14-15-22(16-24-21(7)23)20(6)13-9-11-18(3)4/h10-11,13,22H,5,8-9,12,14-16H2,1-4,6-7H3/b20-13+
- InChI Key
- MVDJPWRUBBCPLX-DEDYPNTBSA-N
- Formula
- C22H36O2
- SMILES
-
C=C(CCC=C(C)C)CCC(COC(C)=O)C(C
)=CCC=C(C)C - Molecular Weight1
- 332.52
- 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° | 192.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.07 | Crippen Calculated Property | |
| logPoct/wat | 6.551 | Crippen Calculated Property | |
| McVol | 311.080 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | 2129.00 | NIST | |
| Tboil | 787.29 | K | Joback Calculated Property |
| Tc | 980.15 | K | Joback Calculated Property |
| Tfus | 322.02 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.23; 1032.06] | J/mol×K | [787.29; 980.15] | 
|
| Cp,gas | 930.23 | J/mol×K | 787.29 | Joback Calculated Property |
| Cp,gas | 949.35 | J/mol×K | 819.43 | Joback Calculated Property |
| Cp,gas | 967.52 | J/mol×K | 851.58 | Joback Calculated Property |
| Cp,gas | 984.81 | J/mol×K | 883.72 | Joback Calculated Property |
| Cp,gas | 1001.28 | J/mol×K | 915.86 | Joback Calculated Property |
| Cp,gas | 1017.00 | J/mol×K | 948.01 | Joback Calculated Property |
| Cp,gas | 1032.06 | J/mol×K | 980.15 | Joback Calculated Property |
Similar Compounds
Sources
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