- InChI
- InChI=1S/C12H20O3/c1-3-5-7-8-9-11-15-12(13)14-10-6-4-2/h2H,3,5-11H2,1H3
- InChI Key
- HRLOVJPHCNEVAK-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- C#CCCOC(=O)OCCCCCCC
- Molecular Weight1
- 212.29
- 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).
- 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° | -65.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.133 | Crippen Calculated Property | |
| McVol | 184.650 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Tboil | 562.79 | K | Joback Calculated Property |
| Tc | 741.71 | K | Joback Calculated Property |
| Tfus | 366.36 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.00; 529.75] | J/mol×K | [562.79; 741.71] | 
|
| Cp,gas | 452.00 | J/mol×K | 562.79 | Joback Calculated Property |
| Cp,gas | 466.40 | J/mol×K | 592.61 | Joback Calculated Property |
| Cp,gas | 480.22 | J/mol×K | 622.43 | Joback Calculated Property |
| Cp,gas | 493.46 | J/mol×K | 652.25 | Joback Calculated Property |
| Cp,gas | 506.12 | J/mol×K | 682.07 | Joback Calculated Property |
| Cp,gas | 518.22 | J/mol×K | 711.89 | Joback Calculated Property |
| Cp,gas | 529.75 | J/mol×K | 741.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl heptyl ester.
Sources
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