- InChI
- InChI=1S/C13H22O3/c1-3-5-7-8-9-10-12-16-13(14)15-11-6-4-2/h2H,3,5-12H2,1H3
- InChI Key
- SWQBNTUVYRSPOY-UHFFFAOYSA-N
- Formula
- C13H22O3
- SMILES
- C#CCCOC(=O)OCCCCCCCC
- Molecular Weight1
- 226.31
- 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 | 0.6907 | Relay (... Calculated Property | |
| ΔfG° | -57.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.19 | kJ/mol | Relay (... Calculated Property |
| IE | 9.78 | eV | Relay (... Calculated Property |
| log10WS | -4.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.523 | Crippen Calculated Property | |
| McVol | 198.740 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [1552.00; 1552.00] |
|
|
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Tboil | 551.13 | K | Relay (... Calculated Property |
| Tc | 690.06 | K | Relay (... Calculated Property |
| Tfus | 257.04 | K | Relay (... Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.56; 582.86] | J/mol×K | [585.67; 763.07] |
|
| Cp,gas | 501.56 | J/mol×K | 585.67 | Joback Calculated Property |
| Cp,gas | 516.66 | J/mol×K | 615.24 | Joback Calculated Property |
| Cp,gas | 531.12 | J/mol×K | 644.80 | Joback Calculated Property |
| Cp,gas | 544.97 | J/mol×K | 674.37 | Joback Calculated Property |
| Cp,gas | 558.20 | J/mol×K | 703.93 | Joback Calculated Property |
| Cp,gas | 570.83 | J/mol×K | 733.50 | Joback Calculated Property |
| Cp,gas | 582.86 | J/mol×K | 763.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl octyl ester.
Sources
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