- InChI
- InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
- InChI Key
- LZWFXVJBIZIHCH-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=CC(CCCCC)OC(=O)CCC
- Molecular Weight1
- 198.30
- CAS
- 16491-54-6
- Other Names
-
- 1-Octen-3-ol butyrate
- 1-Octen-3-yl butyrate
- 1-Pentyl-2-propenyl butyrate
- 1-Pentylallyl butyrate
- Amylvinylcarbinyl butyrate
- Butyric acid, 1-pentylallyl ester
- Butyric acid, 1-vinylhexyl ester
- Oct-1-en-3-yl butyrate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -516.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.41 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Tboil | 480.86 | K | Relay (1.0) Calculated Property |
| Tc | 665.43 | K | Relay (1.0) Calculated Property |
| Tfus | 194.26 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.83; 522.66] | J/mol×K | [528.62; 701.83] | 
|
| Cp,gas | 437.83 | J/mol×K | 528.62 | Joback Calculated Property |
| Cp,gas | 453.62 | J/mol×K | 557.49 | Joback Calculated Property |
| Cp,gas | 468.73 | J/mol×K | 586.36 | Joback Calculated Property |
| Cp,gas | 483.18 | J/mol×K | 615.23 | Joback Calculated Property |
| Cp,gas | 496.97 | J/mol×K | 644.09 | Joback Calculated Property |
| Cp,gas | 510.13 | J/mol×K | 672.96 | Joback Calculated Property |
| Cp,gas | 522.66 | J/mol×K | 701.83 | Joback Calculated Property |
| η | [0.0001676; 0.0073752] | Pa×s | [250.57; 528.62] |
|
| η | 0.0073752 | Pa×s | 250.57 | Joback Calculated Property |
| η | 0.0023994 | Pa×s | 296.91 | Joback Calculated Property |
| η | 0.0010571 | Pa×s | 343.25 | Joback Calculated Property |
| η | 0.0005660 | Pa×s | 389.60 | Joback Calculated Property |
| η | 0.0003461 | Pa×s | 435.94 | Joback Calculated Property |
| η | 0.0002326 | Pa×s | 482.28 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 528.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 1-ethenylhexyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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