- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.54; 596.01] | 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 | 1.49340e+01 | |||
| Coefficient B | 1.00588e+00 | |||
| Coefficient C | -4.86400e-04 | |||
| Coefficient D | 6.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 254.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 412.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 454.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 492.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 524.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 552.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 576.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 596.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0146247; 0.0002134] | Pa×s | [226.06; 478.46] |
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 | -1.22387e+01 | |||
| Coefficient B | 1.81156e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 226.06 | |||
| Temperature range, max. | 478.46 | |||
| η | 0.0146247 | Pa×s | 226.06 | Calculated Property |
| η | 0.0060392 | Pa×s | 254.10 | Calculated Property |
| η | 0.0029733 | Pa×s | 282.15 | Calculated Property |
| η | 0.0016639 | Pa×s | 310.19 | Calculated Property |
| η | 0.0010253 | Pa×s | 338.24 | Calculated Property |
| η | 0.0006804 | Pa×s | 366.28 | Calculated Property |
| η | 0.0004786 | Pa×s | 394.33 | Calculated Property |
| η | 0.0003528 | Pa×s | 422.37 | Calculated Property |
| η | 0.0002701 | Pa×s | 450.42 | Calculated Property |
| η | 0.0002134 | Pa×s | 478.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-methylheptyl 2-propionate.
Sources
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