- InChI
- InChI=1S/C11H16O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10/h1,10H,3-9H2
- InChI Key
- WAOBZPLANFGHBU-UHFFFAOYSA-N
- Formula
- C11H16O3
- SMILES
- C#CCOC(=O)OCC1CCCCC1
- Molecular Weight1
- 196.24
- 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° | -49.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 159.700 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | [1443.00; 1443.00] |
|
|
| Inp | 1443.00 | NIST | |
| Inp | 1443.00 | NIST | |
| Tboil | 559.46 | K | Joback Calculated Property |
| Tc | 773.75 | K | Joback Calculated Property |
| Tfus | 362.47 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.08; 480.78] | J/mol×K | [559.46; 773.75] |
|
| Cp,gas | 392.08 | J/mol×K | 559.46 | Joback Calculated Property |
| Cp,gas | 409.13 | J/mol×K | 595.18 | Joback Calculated Property |
| Cp,gas | 425.26 | J/mol×K | 630.89 | Joback Calculated Property |
| Cp,gas | 440.48 | J/mol×K | 666.61 | Joback Calculated Property |
| Cp,gas | 454.80 | J/mol×K | 702.32 | Joback Calculated Property |
| Cp,gas | 468.23 | J/mol×K | 738.04 | Joback Calculated Property |
| Cp,gas | 480.78 | J/mol×K | 773.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propargyl cyclohexylmethyl ester.
Sources
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