- InChI
- InChI=1S/C11H20O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10/h10H,2-9H2,1H3
- InChI Key
- QJRNAVLRTASNNZ-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- CCCOC(=O)OCC1CCCCC1
- Molecular Weight1
- 200.27
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5617 | Relay (1.0) Calculated Property | |
| ΔfG° | -272.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.130 | Crippen Calculated Property | |
| McVol | 168.300 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1433.00; 1433.00] |
|
|
| Inp | 1433.00 | NIST | |
| Inp | 1433.00 | NIST | |
| Tboil | 534.78 | K | Relay (1.0) Calculated Property |
| Tc | 688.74 | K | Relay (1.0) Calculated Property |
| Tfus | 224.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.87; 527.16] | J/mol×K | [569.34; 769.82] |
|
| Cp,gas | 431.87 | J/mol×K | 569.34 | Joback Calculated Property |
| Cp,gas | 449.95 | J/mol×K | 602.75 | Joback Calculated Property |
| Cp,gas | 467.15 | J/mol×K | 636.17 | Joback Calculated Property |
| Cp,gas | 483.47 | J/mol×K | 669.58 | Joback Calculated Property |
| Cp,gas | 498.91 | J/mol×K | 702.99 | Joback Calculated Property |
| Cp,gas | 513.47 | J/mol×K | 736.40 | Joback Calculated Property |
| Cp,gas | 527.16 | J/mol×K | 769.82 | Joback Calculated Property |
| η | [0.0001777; 0.0028391] | Pa×s | [315.50; 569.34] |
|
| η | 0.0028391 | Pa×s | 315.50 | Joback Calculated Property |
| η | 0.0013616 | Pa×s | 357.81 | Joback Calculated Property |
| η | 0.0007627 | Pa×s | 400.11 | Joback Calculated Property |
| η | 0.0004774 | Pa×s | 442.42 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 484.73 | Joback Calculated Property |
| η | 0.0002343 | Pa×s | 527.03 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 569.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propyl cyclohexylmethyl ester.
Sources
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