- InChI
- InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
- InChI Key
- FHLGUOHLUFIAAA-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(=O)CCC
- Molecular Weight1
- 224.34
- CAS
- 78-36-4
- Other Names
-
- Linalyl butyrate
- Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
- Butyric acid, linalyl ester
- Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
- Linalyl butanoate
- 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° | -4.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 4.021 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Inp | [1402.00; 1422.00] |
|
|
| Inp | 1408.20 | NIST | |
| Inp | 1422.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1422.00 | NIST | |
| I | [1680.00; 1698.00] |
|
|
| I | 1698.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1680.00 | NIST | |
| Tboil | 593.50 | K | Joback Calculated Property |
| Tc | 781.84 | K | Joback Calculated Property |
| Tfus | 301.32 | K | Joback Calculated Property |
| Vc | 0.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.80; 618.13] | J/mol×K | [593.50; 781.84] |
|
| Cp,gas | 528.80 | J/mol×K | 593.50 | Joback Calculated Property |
| Cp,gas | 545.80 | J/mol×K | 624.89 | Joback Calculated Property |
| Cp,gas | 561.90 | J/mol×K | 656.28 | Joback Calculated Property |
| Cp,gas | 577.14 | J/mol×K | 687.67 | Joback Calculated Property |
| Cp,gas | 591.56 | J/mol×K | 719.06 | Joback Calculated Property |
| Cp,gas | 605.21 | J/mol×K | 750.45 | Joback Calculated Property |
| Cp,gas | 618.13 | J/mol×K | 781.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate.
Sources
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