- InChI
- InChI=1S/C15H26O2/c1-6-8-11-14(16)17-15(5,7-2)12-9-10-13(3)4/h7,10H,2,6,8-9,11-12H2,1,3-5H3
- InChI Key
- BYTYEUINJPKZIB-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(=O)CCCC
- Molecular Weight1
- 238.37
- CAS
- 10471-96-2
- Other Names
-
- Linalyl valerate
- Linalyl N-valerate
- 1,5-dimethyl-1-vinylhex-4-enyl valerate
- 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° | 3.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 4.411 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1510.00] |
|
|
| Inp | 1510.00 | NIST | |
| Inp | 1500.00 | NIST | |
| I | 1765.00 | NIST | |
| Tboil | 616.38 | K | Joback Calculated Property |
| Tc | 802.75 | K | Joback Calculated Property |
| Tfus | 312.59 | K | Joback Calculated Property |
| Vc | 0.851 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.05; 672.80] | J/mol×K | [616.38; 802.75] |
|
| Cp,gas | 581.05 | J/mol×K | 616.38 | Joback Calculated Property |
| Cp,gas | 598.48 | J/mol×K | 647.44 | Joback Calculated Property |
| Cp,gas | 615.00 | J/mol×K | 678.50 | Joback Calculated Property |
| Cp,gas | 630.65 | J/mol×K | 709.57 | Joback Calculated Property |
| Cp,gas | 645.47 | J/mol×K | 740.63 | Joback Calculated Property |
| Cp,gas | 659.50 | J/mol×K | 771.69 | Joback Calculated Property |
| Cp,gas | 672.80 | J/mol×K | 802.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester.
Sources
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