- InChI
- InChI=1S/C15H26O2/c1-7-13(5)14(16)17-15(6,8-2)11-9-10-12(3)4/h8,10,13H,2,7,9,11H2,1,3-6H3
- InChI Key
- MLJNGBGMEMFTPV-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(=O)C(C)CC
- Molecular Weight1
- 238.37
- Other Names
-
- linalyl 2-methylbutyrate
- 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.
- 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° | 1.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1461.00] |
|
|
| Inp | 1461.00 | NIST | |
| Inp | 1450.00 | NIST | |
| I | [1695.00; 1695.00] |
|
|
| I | 1695.00 | NIST | |
| I | 1695.00 | NIST | |
| Tboil | 615.94 | K | Joback Calculated Property |
| Tc | 805.63 | K | Joback Calculated Property |
| Tfus | 297.59 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.43; 674.74] | J/mol×K | [615.94; 805.63] |
|
| Cp,gas | 581.43 | J/mol×K | 615.94 | Joback Calculated Property |
| Cp,gas | 599.22 | J/mol×K | 647.55 | Joback Calculated Property |
| Cp,gas | 616.05 | J/mol×K | 679.17 | Joback Calculated Property |
| Cp,gas | 631.97 | J/mol×K | 710.78 | Joback Calculated Property |
| Cp,gas | 647.03 | J/mol×K | 742.40 | Joback Calculated Property |
| Cp,gas | 661.27 | J/mol×K | 774.01 | Joback Calculated Property |
| Cp,gas | 674.74 | J/mol×K | 805.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalyl 2-methylbutanoate.
Sources
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