- InChI
- InChI=1S/C11H22O2/c1-5-11(12)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- FVMCJAQZZHUSQE-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCC(=O)OC(C)CCCC(C)C
- Molecular Weight1
- 186.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.5694 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -621.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| I | [1480.00; 1480.00] |
|
|
| I | 1480.00 | NIST | |
| I | 1480.00 | NIST | |
| Tboil | 461.81 | K | Relay (1.0) Calculated Property |
| Tc | 645.41 | K | Relay (1.0) Calculated Property |
| Tfus | 207.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [408.82; 494.90] | J/mol×K | [508.62; 683.52] |
|
| Cp,gas | 408.82 | J/mol×K | 508.62 | Joback Calculated Property |
| Cp,gas | 424.78 | J/mol×K | 537.77 | Joback Calculated Property |
| Cp,gas | 440.08 | J/mol×K | 566.92 | Joback Calculated Property |
| Cp,gas | 454.74 | J/mol×K | 596.07 | Joback Calculated Property |
| Cp,gas | 468.75 | J/mol×K | 625.22 | Joback Calculated Property |
| Cp,gas | 482.13 | J/mol×K | 654.37 | Joback Calculated Property |
| Cp,gas | 494.90 | J/mol×K | 683.52 | Joback Calculated Property |
| η | [0.0001705; 0.0146247] | Pa×s | [226.06; 508.62] |
|
| η | 0.0146247 | Pa×s | 226.06 | Joback Calculated Property |
| η | 0.0036734 | Pa×s | 273.15 | Joback Calculated Property |
| η | 0.0013852 | Pa×s | 320.25 | Joback Calculated Property |
| η | 0.0006708 | Pa×s | 367.34 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 414.43 | Joback Calculated Property |
| η | 0.0002452 | Pa×s | 461.53 | Joback Calculated Property |
| η | 0.0001705 | Pa×s | 508.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-methylheptyl 2-propionate.
Sources
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