- InChI
- InChI=1S/C13H22O2/c1-6-13(14)15-9-12(11(4)5)8-7-10(2)3/h7,12H,4,6,8-9H2,1-3,5H3
- InChI Key
- NQCUUXYGJVLXAT-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)CC
- Molecular Weight1
- 210.31
- CAS
- 59550-34-4
- 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° | -26.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -338.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.488 | Crippen Calculated Property | |
| McVol | 192.870 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | [1375.00; 1375.00] |
|
|
| Inp | 1375.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Tboil | 573.29 | K | Joback Calculated Property |
| Tc | 760.33 | K | Joback Calculated Property |
| Tfus | 258.67 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.11; 561.21] | J/mol×K | [573.29; 760.33] |
|
| Cp,gas | 475.11 | J/mol×K | 573.29 | Joback Calculated Property |
| Cp,gas | 491.31 | J/mol×K | 604.46 | Joback Calculated Property |
| Cp,gas | 506.74 | J/mol×K | 635.64 | Joback Calculated Property |
| Cp,gas | 521.42 | J/mol×K | 666.81 | Joback Calculated Property |
| Cp,gas | 535.37 | J/mol×K | 697.98 | Joback Calculated Property |
| Cp,gas | 548.63 | J/mol×K | 729.15 | Joback Calculated Property |
| Cp,gas | 561.21 | J/mol×K | 760.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl propionate.
Sources
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