- InChI
- InChI=1S/C17H30O2/c1-3-5-7-9-10-11-12-13-15-17(18)19-16-14-8-6-4-2/h1H,4-16H2,2H3
- InChI Key
- RGECZIIDDYVYOB-UHFFFAOYSA-N
- Formula
- C17H30O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCC
- Molecular Weight1
- 266.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7815 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.864 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1417.57 | kPa | Joback Calculated Property |
| Inp | [1812.00; 1812.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Tboil | 588.83 | K | Relay (1.0) Calculated Property |
| Tc | 760.65 | K | Relay (1.0) Calculated Property |
| Tfus | 295.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.926 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.79; 778.17] | J/mol×K | [654.77; 828.64] |
|
| Cp,gas | 684.79 | J/mol×K | 654.77 | Joback Calculated Property |
| Cp,gas | 702.25 | J/mol×K | 683.75 | Joback Calculated Property |
| Cp,gas | 718.92 | J/mol×K | 712.73 | Joback Calculated Property |
| Cp,gas | 734.83 | J/mol×K | 741.71 | Joback Calculated Property |
| Cp,gas | 749.99 | J/mol×K | 770.68 | Joback Calculated Property |
| Cp,gas | 764.43 | J/mol×K | 799.66 | Joback Calculated Property |
| Cp,gas | 778.17 | J/mol×K | 828.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, hexyl ester.
Sources
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