- InChI
- InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+
- InChI Key
- DNXKABMLNDEGAE-OUKQBFOZSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCC=CCOC(=O)CCCC
- Molecular Weight1
- 254.41
- 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 | 0.7492 | Relay (... Calculated Property | |
| ΔfG° | -69.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.36 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -5.34 | Relay (... Calculated Property | |
| logPoct/wat | 5.027 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1417.57 | kPa | Joback Calculated Property |
| Inp | [1782.00; 1782.00] |
|
|
| Inp | 1782.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Tboil | 553.08 | K | Relay (... Calculated Property |
| Tc | 734.43 | K | Relay (... Calculated Property |
| Tfus | 231.48 | K | Relay (... Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.12; 748.76] | J/mol×K | [645.93; 818.34] |
|
| Cp,gas | 655.12 | J/mol×K | 645.93 | Joback Calculated Property |
| Cp,gas | 672.59 | J/mol×K | 674.67 | Joback Calculated Property |
| Cp,gas | 689.29 | J/mol×K | 703.40 | Joback Calculated Property |
| Cp,gas | 705.23 | J/mol×K | 732.14 | Joback Calculated Property |
| Cp,gas | 720.44 | J/mol×K | 760.87 | Joback Calculated Property |
| Cp,gas | 734.94 | J/mol×K | 789.61 | Joback Calculated Property |
| Cp,gas | 748.76 | J/mol×K | 818.34 | Joback Calculated Property |
| η | [0.0001048; 0.0022449] | Pa×s | [337.16; 645.93] |
|
| η | 0.0022449 | Pa×s | 337.16 | Joback Calculated Property |
| η | 0.0009605 | Pa×s | 388.62 | Joback Calculated Property |
| η | 0.0005012 | Pa×s | 440.08 | Joback Calculated Property |
| η | 0.0002997 | Pa×s | 491.55 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 543.01 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 594.47 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 645.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, undec-2-enyl ester.
Sources
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