- InChI
- InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
- InChI Key
- JZIARAQCPRDGAC-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(=O)C(C)C
- Molecular Weight1
- 224.34
- CAS
- 78-35-3
- Other Names
-
- 1,5-Dimethyl-1-vinyl-4-hexenyl isobutyrate
- Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
- Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
- Linalool isobutyrate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate
- 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate
- 3,7-Dimethyl-1,6-octadienyl isobutyrate
- 1,5-Dimethyl-1-vinyl-4-hexenyl 2-methylpropanoate
- Linalyl 2-methylpropanoate
- Isobutyric acid, linalyl ester
- NSC 46145
- Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
- Linalol isobutyrate
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- 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° | -7.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.877 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [1356.00; 1379.00] |
|
|
| Inp | 1362.00 | NIST | |
| Inp | 1361.70 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1366.00 | NIST | |
| I | 1622.00 | NIST | |
| Tboil | 593.06 | K | Joback Calculated Property |
| Tc | 784.94 | K | Joback Calculated Property |
| Tfus | 286.32 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.16; 620.12] | J/mol×K | [593.06; 784.94] |
|
| Cp,gas | 529.16 | J/mol×K | 593.06 | Joback Calculated Property |
| Cp,gas | 546.53 | J/mol×K | 625.04 | Joback Calculated Property |
| Cp,gas | 562.95 | J/mol×K | 657.02 | Joback Calculated Property |
| Cp,gas | 578.48 | J/mol×K | 689.00 | Joback Calculated Property |
| Cp,gas | 593.15 | J/mol×K | 720.98 | Joback Calculated Property |
| Cp,gas | 607.02 | J/mol×K | 752.96 | Joback Calculated Property |
| Cp,gas | 620.12 | J/mol×K | 784.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalyl isobutyrate.
Sources
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