- InChI
- InChI=1S/C17H30O2/c1-14(2)8-6-10-16(5)12-13-19-17(18)11-7-9-15(3)4/h8,12,15H,6-7,9-11,13H2,1-5H3/b16-12-
- InChI Key
- ZKNPBCUOCULKRL-VBKFSLOCSA-N
- Formula
- C17H30O2
- SMILES
- CC(C)=CCCC(C)=CCOC(=O)CCCC(C)C
- Molecular Weight1
- 266.42
- 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° | -0.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 5.049 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1390.22 | kPa | Joback Calculated Property |
| Inp | [1784.00; 1784.00] |
|
|
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Tboil | 672.29 | K | Joback Calculated Property |
| Tc | 856.36 | K | Joback Calculated Property |
| Tfus | 300.43 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.18; 785.40] | J/mol×K | [672.29; 856.36] |
|
| Cp,gas | 689.18 | J/mol×K | 672.29 | Joback Calculated Property |
| Cp,gas | 707.31 | J/mol×K | 702.97 | Joback Calculated Property |
| Cp,gas | 724.55 | J/mol×K | 733.65 | Joback Calculated Property |
| Cp,gas | 740.94 | J/mol×K | 764.33 | Joback Calculated Property |
| Cp,gas | 756.52 | J/mol×K | 795.01 | Joback Calculated Property |
| Cp,gas | 771.33 | J/mol×K | 825.69 | Joback Calculated Property |
| Cp,gas | 785.40 | J/mol×K | 856.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geranyl isoheptanoate.
Sources
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