- InChI
- InChI=1S/C17H30O2/c1-7-10-15(5)13-16(18)19-17(6,8-2)12-9-11-14(3)4/h8,11,15H,2,7,9-10,12-13H2,1,3-6H3
- InChI Key
- VCVSHHBNQWDSNK-UHFFFAOYSA-N
- Formula
- C17H30O2
- SMILES
-
C=CC(C)(CCC=C(C)C)OC(=O)CC(C)C
CC - Molecular Weight1
- 266.42
- 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° | 18.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 5.047 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | [1654.00; 1654.00] |
|
|
| Inp | 1654.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Tboil | 661.70 | K | Joback Calculated Property |
| Tc | 847.90 | K | Joback Calculated Property |
| Tfus | 320.13 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.03; 787.20] | J/mol×K | [661.70; 847.90] |
|
| Cp,gas | 690.03 | J/mol×K | 661.70 | Joback Calculated Property |
| Cp,gas | 708.49 | J/mol×K | 692.73 | Joback Calculated Property |
| Cp,gas | 725.98 | J/mol×K | 723.77 | Joback Calculated Property |
| Cp,gas | 742.55 | J/mol×K | 754.80 | Joback Calculated Property |
| Cp,gas | 758.25 | J/mol×K | 785.83 | Joback Calculated Property |
| Cp,gas | 773.12 | J/mol×K | 816.86 | Joback Calculated Property |
| Cp,gas | 787.20 | J/mol×K | 847.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to linalyl 3-methylhexanoate.
Sources
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