- InChI
- InChI=1S/C13H22O2/c1-5-12(14)15-9-11-6-7-13(3,4)8-10(11)2/h5-9H2,1-4H3
- InChI Key
- FYFSCEZHVSYIGI-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CCC(=O)OCC1=C(C)CC(C)(C)CC1
- Molecular Weight1
- 210.31
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4673 | Relay (1.0) Calculated Property | |
| ΔfG° | -145.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | 1391.00 | NIST | |
| I | 1712.00 | NIST | |
| Tboil | 517.53 | K | Relay (1.0) Calculated Property |
| Tc | 707.39 | K | Relay (1.0) Calculated Property |
| Tfus | 261.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.22; 579.83] | J/mol×K | [602.04; 809.71] | 
|
| Cp,gas | 484.22 | J/mol×K | 602.04 | Joback Calculated Property |
| Cp,gas | 502.08 | J/mol×K | 636.65 | Joback Calculated Property |
| Cp,gas | 519.05 | J/mol×K | 671.26 | Joback Calculated Property |
| Cp,gas | 535.23 | J/mol×K | 705.87 | Joback Calculated Property |
| Cp,gas | 550.69 | J/mol×K | 740.48 | Joback Calculated Property |
| Cp,gas | 565.53 | J/mol×K | 775.10 | Joback Calculated Property |
| Cp,gas | 579.83 | J/mol×K | 809.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Cyclolavandulyl propionate.
Sources
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