- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
- InChI Key
- NTQOADMSKSBQCI-BQYQJAHWSA-N
- Formula
- C11H20O2
- SMILES
- CCCCC=CCCOC(=O)CC
- Molecular Weight1
- 184.28
- CAS
- 94133-58-1
- Other Names
-
- oct-3-enyl propionate
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.5500 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | 1180.00 | NIST | |
| I | [1432.00; 1432.00] |
|
|
| I | 1432.00 | NIST | |
| I | 1432.00 | NIST | |
| Tboil | 487.70 | K | Relay (1.0) Calculated Property |
| Tc | 668.64 | K | Relay (1.0) Calculated Property |
| Tfus | 205.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.17; 564.36] | 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 | 4.11600e+00 | |||
| Coefficient B | 1.01404e+00 | |||
| Coefficient C | -5.63800e-04 | |||
| Coefficient D | 1.10000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 297.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 431.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 466.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 496.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 522.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 545.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 564.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052704; 0.0001999] | Pa×s | [250.98; 482.30] |
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 | -1.20675e+01 | |||
| Coefficient B | 1.71216e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.98 | |||
| Temperature range, max. | 482.30 | |||
| η | 0.0052704 | Pa×s | 250.98 | Calculated Property |
| η | 0.0027966 | Pa×s | 276.68 | Calculated Property |
| η | 0.0016527 | Pa×s | 302.38 | Calculated Property |
| η | 0.0010606 | Pa×s | 328.09 | Calculated Property |
| η | 0.0007259 | Pa×s | 353.79 | Calculated Property |
| η | 0.0005231 | Pa×s | 379.49 | Calculated Property |
| η | 0.0003929 | Pa×s | 405.19 | Calculated Property |
| η | 0.0003054 | Pa×s | 430.89 | Calculated Property |
| η | 0.0002442 | Pa×s | 456.60 | Calculated Property |
| η | 0.0001999 | Pa×s | 482.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octenyl propionate.
Sources
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