- InChI
- InChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-15(16)18-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3/b12-8+
- InChI Key
- LHKUAUJLJDLCKN-XYOKQWHBSA-N
- Formula
- C15H24O3
- SMILES
- CC(C)=CCCC(C)=CCOC1CC(=O)OC1C
- Molecular Weight1
- 252.35
- 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).
- I : 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° | -66.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 216.060 | ml/mol | McGowan Calculated Property |
| Pc | 1753.60 | kPa | Joback Calculated Property |
| I | 2572.00 | NIST | |
| Tboil | 678.48 | K | Joback Calculated Property |
| Tc | 888.60 | K | Joback Calculated Property |
| Tfus | 344.41 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.07; 719.84] | J/mol×K | [678.48; 888.60] | 
|
| Cp,gas | 619.07 | J/mol×K | 678.48 | Joback Calculated Property |
| Cp,gas | 638.55 | J/mol×K | 713.50 | Joback Calculated Property |
| Cp,gas | 656.93 | J/mol×K | 748.52 | Joback Calculated Property |
| Cp,gas | 674.21 | J/mol×K | 783.54 | Joback Calculated Property |
| Cp,gas | 690.45 | J/mol×K | 818.56 | Joback Calculated Property |
| Cp,gas | 705.64 | J/mol×K | 853.58 | Joback Calculated Property |
| Cp,gas | 719.84 | J/mol×K | 888.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-geraniloxy-«gamma»-valeroladone.
Sources
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