- InChI
- InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h1H,4-13H2,2H3
- InChI Key
- NTWOHKRWOQBBJB-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- C#CCCCCCCCCC(=O)OCCC
- Molecular Weight1
- 224.34
- 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 | 0.6732 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.694 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [1621.00; 1621.00] |
|
|
| Inp | 1621.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Tboil | 551.74 | K | Relay (1.0) Calculated Property |
| Tc | 720.58 | K | Relay (1.0) Calculated Property |
| Tfus | 287.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.73; 610.36] | J/mol×K | [586.13; 762.74] |
|
| Cp,gas | 524.73 | J/mol×K | 586.13 | Joback Calculated Property |
| Cp,gas | 540.68 | J/mol×K | 615.57 | Joback Calculated Property |
| Cp,gas | 555.94 | J/mol×K | 645.00 | Joback Calculated Property |
| Cp,gas | 570.52 | J/mol×K | 674.44 | Joback Calculated Property |
| Cp,gas | 584.44 | J/mol×K | 703.87 | Joback Calculated Property |
| Cp,gas | 597.71 | J/mol×K | 733.31 | Joback Calculated Property |
| Cp,gas | 610.36 | J/mol×K | 762.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, propyl ester.
Sources
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