- InChI
- InChI=1S/C11H18O3/c1-4-5-8-13-11(12)14-9-6-7-10(2)3/h1,10H,5-9H2,2-3H3
- InChI Key
- LEOVYGPHDGNOBT-UHFFFAOYSA-N
- Formula
- C11H18O3
- SMILES
- C#CCCOC(=O)OCCCC(C)C
- Molecular Weight1
- 198.26
- 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).
- 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° | -76.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.599 | Crippen Calculated Property | |
| McVol | 170.560 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [1324.00; 1324.00] |
|
|
| Inp | 1324.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Tboil | 539.47 | K | Joback Calculated Property |
| Tc | 723.67 | K | Joback Calculated Property |
| Tfus | 340.09 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.45; 479.72] | J/mol×K | [539.47; 723.67] |
|
| Cp,gas | 404.45 | J/mol×K | 539.47 | Joback Calculated Property |
| Cp,gas | 418.40 | J/mol×K | 570.17 | Joback Calculated Property |
| Cp,gas | 431.78 | J/mol×K | 600.87 | Joback Calculated Property |
| Cp,gas | 444.60 | J/mol×K | 631.57 | Joback Calculated Property |
| Cp,gas | 456.86 | J/mol×K | 662.27 | Joback Calculated Property |
| Cp,gas | 468.57 | J/mol×K | 692.97 | Joback Calculated Property |
| Cp,gas | 479.72 | J/mol×K | 723.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl isohexyl ester.
Sources
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