- InChI
- InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3
- InChI Key
- FTJATNSAFIFEDU-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=CCCCCC(=O)OCC
- Molecular Weight1
- 156.22
- CAS
- 25118-23-4
- Other Names
-
- Ethyl 6-heptenoate
- 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 | 0.5056 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| I | [1609.00; 1609.00] |
|
|
| I | 1609.00 | NIST | |
| I | 1609.00 | NIST | |
| Tboil | 452.40 | K | Relay (1.0) Calculated Property |
| Tc | 638.80 | K | Relay (1.0) Calculated Property |
| Tfus | 213.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.44; 374.26] | J/mol×K | [478.29; 655.34] |
|
| Cp,gas | 305.44 | J/mol×K | 478.29 | Joback Calculated Property |
| Cp,gas | 318.12 | J/mol×K | 507.80 | Joback Calculated Property |
| Cp,gas | 330.31 | J/mol×K | 537.31 | Joback Calculated Property |
| Cp,gas | 342.00 | J/mol×K | 566.81 | Joback Calculated Property |
| Cp,gas | 353.22 | J/mol×K | 596.32 | Joback Calculated Property |
| Cp,gas | 363.97 | J/mol×K | 625.83 | Joback Calculated Property |
| Cp,gas | 374.26 | J/mol×K | 655.34 | Joback Calculated Property |
| η | [0.0002419; 0.0030378] | Pa×s | [261.59; 478.29] |
|
| η | 0.0030378 | Pa×s | 261.59 | Joback Calculated Property |
| η | 0.0015428 | Pa×s | 297.71 | Joback Calculated Property |
| η | 0.0009072 | Pa×s | 333.82 | Joback Calculated Property |
| η | 0.0005918 | Pa×s | 369.94 | Joback Calculated Property |
| η | 0.0004165 | Pa×s | 406.06 | Joback Calculated Property |
| η | 0.0003104 | Pa×s | 442.17 | Joback Calculated Property |
| η | 0.0002419 | Pa×s | 478.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heptenoic acid, ethyl ester.
Sources
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