- 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° | -349.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.46 | 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 | 2309.17 | 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 | 694.03 | K | Relay (1.0) Calculated Property |
| Tfus | 221.65 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.46; 598.51] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.18070e+01 | |||
| Coefficient B | 1.05292e+00 | |||
| Coefficient C | -4.50000e-04 | |||
| Coefficient D | 1.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 295.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 352.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 403.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 449.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 490.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 525.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 554.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 579.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 598.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046530; 0.0001973] | Pa×s | [285.67; 524.63] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23093e+01 | |||
| Coefficient B | 1.98228e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 285.67 | |||
| Temperature range, max. | 524.63 | |||
| η | 0.0046530 | Pa×s | 285.67 | Calculated Property |
| η | 0.0025790 | Pa×s | 312.22 | Calculated Property |
| η | 0.0015680 | Pa×s | 338.77 | Calculated Property |
| η | 0.0010249 | Pa×s | 365.32 | Calculated Property |
| η | 0.0007096 | Pa×s | 391.88 | Calculated Property |
| η | 0.0005147 | Pa×s | 418.43 | Calculated Property |
| η | 0.0003880 | Pa×s | 444.98 | Calculated Property |
| η | 0.0003019 | Pa×s | 471.53 | Calculated Property |
| η | 0.0002413 | Pa×s | 498.08 | Calculated Property |
| η | 0.0001973 | Pa×s | 524.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propyl cyclohexylmethyl ester.
Sources
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