- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3H,1,4-10H2,2H3
- InChI Key
- KJBRZWADVLEUIE-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=CCCCCCC(=O)OCCC
- Molecular Weight1
- 184.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6046 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| I | [1556.00; 1558.00] |
|
|
| I | 1556.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1556.00 | NIST | |
| Tboil | 493.69 | K | Relay (1.0) Calculated Property |
| Tc | 672.59 | K | Relay (1.0) Calculated Property |
| Tfus | 221.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.86; 469.22] | J/mol×K | [506.18; 677.42] |
|
| Cp,gas | 389.86 | J/mol×K | 506.18 | Joback Calculated Property |
| Cp,gas | 404.57 | J/mol×K | 534.72 | Joback Calculated Property |
| Cp,gas | 418.68 | J/mol×K | 563.26 | Joback Calculated Property |
| Cp,gas | 432.18 | J/mol×K | 591.80 | Joback Calculated Property |
| Cp,gas | 445.10 | J/mol×K | 620.34 | Joback Calculated Property |
| Cp,gas | 457.44 | J/mol×K | 648.88 | Joback Calculated Property |
| Cp,gas | 469.22 | J/mol×K | 677.42 | Joback Calculated Property |
| η | [0.0001947; 0.0051204] | Pa×s | [254.30; 506.18] |
|
| η | 0.0051204 | Pa×s | 254.30 | Joback Calculated Property |
| η | 0.0020185 | Pa×s | 296.28 | Joback Calculated Property |
| η | 0.0010025 | Pa×s | 338.26 | Joback Calculated Property |
| η | 0.0005811 | Pa×s | 380.24 | Joback Calculated Property |
| η | 0.0003754 | Pa×s | 422.22 | Joback Calculated Property |
| η | 0.0002625 | Pa×s | 464.20 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 506.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl 7-octenoate.
Sources
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