- InChI
- InChI=1S/C15H26O2/c1-4-6-8-10-12-14(3)17-15(16)13-11-9-7-5-2/h10-14H,4-9H2,1-3H3/b12-10+,13-11+
- InChI Key
- ZRGIQNZDTIXKDU-DCIPZJNNSA-N
- Formula
- C15H26O2
- SMILES
- CCCCC=CC(=O)OC(C)C=CCCCC
- Molecular Weight1
- 238.37
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6244 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.411 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1600.00 | kPa | Joback Calculated Property |
| Inp | 2113.00 | NIST | |
| Tboil | 504.20 | K | Relay (1.0) Calculated Property |
| Tc | 701.86 | K | Relay (1.0) Calculated Property |
| Tfus | 225.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.58; 670.50] | J/mol×K | [626.77; 808.54] | 
|
| Cp,gas | 580.58 | J/mol×K | 626.77 | Joback Calculated Property |
| Cp,gas | 597.49 | J/mol×K | 657.06 | Joback Calculated Property |
| Cp,gas | 613.59 | J/mol×K | 687.36 | Joback Calculated Property |
| Cp,gas | 628.91 | J/mol×K | 717.65 | Joback Calculated Property |
| Cp,gas | 643.47 | J/mol×K | 747.95 | Joback Calculated Property |
| Cp,gas | 657.33 | J/mol×K | 778.24 | Joback Calculated Property |
| Cp,gas | 670.50 | J/mol×K | 808.54 | Joback Calculated Property |
| η | [0.0000937; 0.0030582] | Pa×s | [305.81; 626.77] |
|
| η | 0.0030582 | Pa×s | 305.81 | Joback Calculated Property |
| η | 0.0011102 | Pa×s | 359.30 | Joback Calculated Property |
| η | 0.0005240 | Pa×s | 412.80 | Joback Calculated Property |
| η | 0.0002939 | Pa×s | 466.29 | Joback Calculated Property |
| η | 0.0001856 | Pa×s | 519.78 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 573.28 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 626.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, oct-3-en-2-yl ester.
Sources
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