- InChI
- InChI=1S/C22H36O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+
- InChI Key
- NHYSRKKHKHCRGR-RFRQLJORSA-N
- Formula
- C22H36O2
- SMILES
-
CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)
CCC=C(C)C - Molecular Weight1
- 332.52
- CAS
- 61691-98-3
- Other Names
-
- (2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl acetate
- 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° | 187.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.87 | kJ/mol | Joback Calculated Property |
| log10WS | -7.31 | Crippen Calculated Property | |
| logPoct/wat | 6.695 | Crippen Calculated Property | |
| McVol | 311.080 | ml/mol | McGowan Calculated Property |
| Pc | 1070.76 | kPa | Joback Calculated Property |
| Inp | [2301.50; 2301.50] |
|
|
| Inp | 2301.50 | NIST | |
| Inp | 2301.50 | NIST | |
| Tboil | 795.21 | K | Joback Calculated Property |
| Tc | 988.86 | K | Joback Calculated Property |
| Tfus | 333.70 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [931.49; 1033.31] | J/mol×K | [795.21; 988.86] |
|
| Cp,gas | 931.49 | J/mol×K | 795.21 | Joback Calculated Property |
| Cp,gas | 950.47 | J/mol×K | 827.48 | Joback Calculated Property |
| Cp,gas | 968.54 | J/mol×K | 859.76 | Joback Calculated Property |
| Cp,gas | 985.79 | J/mol×K | 892.03 | Joback Calculated Property |
| Cp,gas | 1002.28 | J/mol×K | 924.31 | Joback Calculated Property |
| Cp,gas | 1018.09 | J/mol×K | 956.58 | Joback Calculated Property |
| Cp,gas | 1033.31 | J/mol×K | 988.86 | Joback Calculated Property |
Similar Compounds
Sources
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