- InChI
- InChI=1S/C11H20O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h5,10H,2,4,6-9H2,1,3H3
- InChI Key
- JXIWFCAUMLSOOO-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=CC(CCCCC)OC(=O)CC
- Molecular Weight1
- 184.28
- CAS
- 63156-02-5
- Other Names
-
- 1-Octenyl-3-propanoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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° | -106.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [1181.00; 1181.00] |
|
|
| Inp | 1181.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Tboil | 523.61 | K | Joback Calculated Property |
| Tc | 701.05 | K | Joback Calculated Property |
| Tfus | 269.13 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.43; 476.13] | J/mol×K | [523.61; 701.05] |
|
| Cp,gas | 396.43 | J/mol×K | 523.61 | Joback Calculated Property |
| Cp,gas | 411.21 | J/mol×K | 553.18 | Joback Calculated Property |
| Cp,gas | 425.37 | J/mol×K | 582.76 | Joback Calculated Property |
| Cp,gas | 438.94 | J/mol×K | 612.33 | Joback Calculated Property |
| Cp,gas | 451.91 | J/mol×K | 641.90 | Joback Calculated Property |
| Cp,gas | 464.30 | J/mol×K | 671.47 | Joback Calculated Property |
| Cp,gas | 476.13 | J/mol×K | 701.05 | Joback Calculated Property |
| η | [0.0001982; 0.0041707] | Pa×s | [269.13; 523.61] |
|
| η | 0.0041707 | Pa×s | 269.13 | Joback Calculated Property |
| η | 0.0017765 | Pa×s | 311.54 | Joback Calculated Property |
| η | 0.0009284 | Pa×s | 353.96 | Joback Calculated Property |
| η | 0.0005575 | Pa×s | 396.37 | Joback Calculated Property |
| η | 0.0003694 | Pa×s | 438.78 | Joback Calculated Property |
| η | 0.0002632 | Pa×s | 481.20 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 523.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octen-3-yl-n-propionate.
Sources
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