- InChI
- InChI=1S/C12H20O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h2,11H,4,6-10H2,1,3H3
- InChI Key
- QOJFGFLSHWRPKO-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- C#CCOC(=O)OCC(CC)CCCC
- 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).
- 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° | -68.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.989 | Crippen Calculated Property | |
| McVol | 184.650 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 1418.00 | NIST | |
| Tboil | 562.35 | K | Joback Calculated Property |
| Tc | 744.63 | K | Joback Calculated Property |
| Tfus | 351.36 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.33; 531.59] | J/mol×K | [562.35; 744.63] | 
|
| Cp,gas | 452.33 | J/mol×K | 562.35 | Joback Calculated Property |
| Cp,gas | 467.06 | J/mol×K | 592.73 | Joback Calculated Property |
| Cp,gas | 481.17 | J/mol×K | 623.11 | Joback Calculated Property |
| Cp,gas | 494.68 | J/mol×K | 653.49 | Joback Calculated Property |
| Cp,gas | 507.58 | J/mol×K | 683.87 | Joback Calculated Property |
| Cp,gas | 519.88 | J/mol×K | 714.25 | Joback Calculated Property |
| Cp,gas | 531.59 | J/mol×K | 744.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propargyl 2-ethylhexyl ester.
Sources
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