- InChI
- InChI=1S/C9H14O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3,5,7-8H2,1-2H3
- InChI Key
- QBOOMXFBCICQKQ-UHFFFAOYSA-N
- Formula
- C9H14O3
- SMILES
- CC#CCOC(=O)OCCCC
- Molecular Weight1
- 170.21
- 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° | -111.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 1.963 | Crippen Calculated Property | |
| McVol | 142.380 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Inp | [1252.00; 1252.00] |
|
|
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Tboil | 513.03 | K | Joback Calculated Property |
| Tc | 707.69 | K | Joback Calculated Property |
| Tfus | 391.68 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.27; 381.04] | J/mol×K | [513.03; 707.69] |
|
| Cp,gas | 314.27 | J/mol×K | 513.03 | Joback Calculated Property |
| Cp,gas | 326.50 | J/mol×K | 545.47 | Joback Calculated Property |
| Cp,gas | 338.31 | J/mol×K | 577.92 | Joback Calculated Property |
| Cp,gas | 349.67 | J/mol×K | 610.36 | Joback Calculated Property |
| Cp,gas | 360.59 | J/mol×K | 642.80 | Joback Calculated Property |
| Cp,gas | 371.05 | J/mol×K | 675.25 | Joback Calculated Property |
| Cp,gas | 381.04 | J/mol×K | 707.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, butyl but-2-yn-1-yl ester.
Sources
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