- InChI
- InChI=1S/C9H14O3/c1-4-5-6-11-9(10)12-7-8(2)3/h8H,6-7H2,1-3H3
- InChI Key
- FSROIPWWJDBLQB-UHFFFAOYSA-N
- Formula
- C9H14O3
- SMILES
- CC#CCOC(=O)OCC(C)C
- 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° | -113.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.819 | Crippen Calculated Property | |
| McVol | 142.380 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | [1207.00; 1207.00] |
|
|
| Inp | 1207.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Tboil | 512.59 | K | Joback Calculated Property |
| Tc | 711.48 | K | Joback Calculated Property |
| Tfus | 376.68 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.54; 382.90] | J/mol×K | [512.59; 711.48] |
|
| Cp,gas | 314.54 | J/mol×K | 512.59 | Joback Calculated Property |
| Cp,gas | 327.11 | J/mol×K | 545.74 | Joback Calculated Property |
| Cp,gas | 339.23 | J/mol×K | 578.89 | Joback Calculated Property |
| Cp,gas | 350.87 | J/mol×K | 612.03 | Joback Calculated Property |
| Cp,gas | 362.04 | J/mol×K | 645.18 | Joback Calculated Property |
| Cp,gas | 372.72 | J/mol×K | 678.33 | Joback Calculated Property |
| Cp,gas | 382.90 | J/mol×K | 711.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl isobutyl ester.
Sources
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