- InChI
- InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-14-18-16(17)15-12-11-13-15/h9-10,15H,2-8,11-14H2,1H3/b10-9+
- InChI Key
- SNBOCETUQHKRBT-MDZDMXLPSA-N
- Formula
- C16H28O2
- SMILES
- CCCCCCCCC=CCOC(=O)C1CCC1
- Molecular Weight1
- 252.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.636 | Crippen Calculated Property | |
| McVol | 228.580 | ml/mol | McGowan Calculated Property |
| Inp | [1814.00; 1814.00] |
|
|
| Inp | 1814.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Tboil | 567.66 | K | Relay (1.0) Calculated Property |
| Tc | 780.04 | K | Relay (1.0) Calculated Property |
| Tfus | 249.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [318.90; 803.83] | 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 | -5.57920e+01 | |||
| Coefficient B | 1.63032e+00 | |||
| Coefficient C | -1.00960e-03 | |||
| Coefficient D | 2.38900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 318.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 405.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 481.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 548.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 607.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 659.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 703.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 742.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 775.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 803.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032457; 0.0002457] | Pa×s | [321.75; 576.21] |
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 | -1.15750e+01 | |||
| Coefficient B | 1.88049e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 321.75 | |||
| Temperature range, max. | 576.21 | |||
| η | 0.0032457 | Pa×s | 321.75 | Calculated Property |
| η | 0.0020243 | Pa×s | 350.02 | Calculated Property |
| η | 0.0013549 | Pa×s | 378.30 | Calculated Property |
| η | 0.0009589 | Pa×s | 406.57 | Calculated Property |
| η | 0.0007098 | Pa×s | 434.84 | Calculated Property |
| η | 0.0005451 | Pa×s | 463.12 | Calculated Property |
| η | 0.0004316 | Pa×s | 491.39 | Calculated Property |
| η | 0.0003504 | Pa×s | 519.66 | Calculated Property |
| η | 0.0002908 | Pa×s | 547.94 | Calculated Property |
| η | 0.0002457 | Pa×s | 576.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, undec-2-enyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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