- InChI
- InChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+
- InChI Key
- FCIRXSXAXUSWOF-ZHACJKMWSA-N
- Formula
- C14H26O2
- SMILES
- CCCCC=CC(C)OC(=O)CCCCC
- Molecular Weight1
- 226.35
- 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° | -89.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.245 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | [1480.00; 1480.00] |
|
|
| Inp | 1480.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Tboil | 599.73 | K | Joback Calculated Property |
| Tc | 776.52 | K | Joback Calculated Property |
| Tfus | 299.62 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.81; 637.92] | J/mol×K | [599.73; 776.52] |
|
| Cp,gas | 547.81 | J/mol×K | 599.73 | Joback Calculated Property |
| Cp,gas | 564.64 | J/mol×K | 629.20 | Joback Calculated Property |
| Cp,gas | 580.71 | J/mol×K | 658.66 | Joback Calculated Property |
| Cp,gas | 596.06 | J/mol×K | 688.13 | Joback Calculated Property |
| Cp,gas | 610.70 | J/mol×K | 717.59 | Joback Calculated Property |
| Cp,gas | 624.64 | J/mol×K | 747.06 | Joback Calculated Property |
| Cp,gas | 637.92 | J/mol×K | 776.52 | Joback Calculated Property |
| η | [0.0001222; 0.0035141] | Pa×s | [299.62; 599.73] |
|
| η | 0.0035141 | Pa×s | 299.62 | Joback Calculated Property |
| η | 0.0013453 | Pa×s | 349.64 | Joback Calculated Property |
| η | 0.0006549 | Pa×s | 399.66 | Joback Calculated Property |
| η | 0.0003742 | Pa×s | 449.68 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 499.69 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 549.71 | Joback Calculated Property |
| η | 0.0001222 | Pa×s | 599.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, oct-3-en-2-yl ester.
Sources
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