- InChI
- InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
- InChI Key
- BTJXBZZBBNNTOV-UHFFFAOYSA-N
- Formula
- C17H22O2
- SMILES
-
C=CC(C)(CCC=C(C)C)OC(=O)c1cccc
c1 - Molecular Weight1
- 258.36
- CAS
- 126-64-7
- 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° | 133.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.30 | Crippen Calculated Property | |
| logPoct/wat | 4.535 | Crippen Calculated Property | |
| McVol | 225.470 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [1780.80; 1781.00] |
|
|
| Inp | 1781.00 | NIST | |
| Inp | 1780.80 | NIST | |
| Tboil | 688.82 | K | Joback Calculated Property |
| Tc | 905.47 | K | Joback Calculated Property |
| Tfus | 361.55 | K | Joback Calculated Property |
| Vc | 0.855 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.77; 698.73] | J/mol×K | [688.82; 905.47] |
|
| Cp,gas | 610.77 | J/mol×K | 688.82 | Joback Calculated Property |
| Cp,gas | 628.09 | J/mol×K | 724.93 | Joback Calculated Property |
| Cp,gas | 644.23 | J/mol×K | 761.04 | Joback Calculated Property |
| Cp,gas | 659.29 | J/mol×K | 797.14 | Joback Calculated Property |
| Cp,gas | 673.33 | J/mol×K | 833.25 | Joback Calculated Property |
| Cp,gas | 686.45 | J/mol×K | 869.36 | Joback Calculated Property |
| Cp,gas | 698.73 | J/mol×K | 905.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalyl benzoate.
Sources
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