- InChI
- InChI=1S/C16H28O2/c1-13(2)7-6-8-15(5)11-12-18-16(17)10-9-14(3)4/h7,11,14H,6,8-10,12H2,1-5H3/b15-11-
- InChI Key
- DUFDVHTVEPGEQM-PTNGSMBKSA-N
- Formula
- C16H28O2
- SMILES
- CC(C)=CCCC(C)=CCOC(=O)CCC(C)C
- Molecular Weight1
- 252.39
- 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 | 0.6056 | Relay (... Calculated Property | |
| ΔfG° | -9.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -4.68 | Relay (... Calculated Property | |
| logPoct/wat | 4.659 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | [1681.00; 1681.00] |
|
|
| Inp | 1681.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Tboil | 548.28 | K | Relay (... Calculated Property |
| Tc | 720.95 | K | Relay (... Calculated Property |
| Tfus | 219.35 | K | Relay (... Calculated Property |
| Vc | 0.839 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.96; 728.16] | J/mol×K | [649.41; 834.76] |
|
| Cp,gas | 633.96 | J/mol×K | 649.41 | Joback Calculated Property |
| Cp,gas | 651.71 | J/mol×K | 680.30 | Joback Calculated Property |
| Cp,gas | 668.60 | J/mol×K | 711.19 | Joback Calculated Property |
| Cp,gas | 684.64 | J/mol×K | 742.09 | Joback Calculated Property |
| Cp,gas | 699.90 | J/mol×K | 772.98 | Joback Calculated Property |
| Cp,gas | 714.39 | J/mol×K | 803.87 | Joback Calculated Property |
| Cp,gas | 728.16 | J/mol×K | 834.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geranyl isohexanoate.
Sources
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