- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3H,1,4-10H2,2H3
- InChI Key
- KJBRZWADVLEUIE-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=CCCCCCC(=O)OCCC
- Molecular Weight1
- 184.28
- 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).
- 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 | 0.6046 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| I | [1556.00; 1558.00] |
|
|
| I | 1556.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1556.00 | NIST | |
| Tboil | 493.69 | K | Relay (1.0) Calculated Property |
| Tc | 672.59 | K | Relay (1.0) Calculated Property |
| Tfus | 221.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.36; 566.43] | 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 | 1.53070e+01 | |||
| Coefficient B | 9.74020e-01 | |||
| Coefficient C | -5.02900e-04 | |||
| Coefficient D | 8.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 245.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 350.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 469.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 499.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 525.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 547.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 566.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051204; 0.0002433] | Pa×s | [254.30; 474.19] |
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 | -1.18445e+01 | |||
| Coefficient B | 1.67076e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 254.30 | |||
| Temperature range, max. | 474.19 | |||
| η | 0.0051204 | Pa×s | 254.30 | Calculated Property |
| η | 0.0028787 | Pa×s | 278.73 | Calculated Property |
| η | 0.0017758 | Pa×s | 303.17 | Calculated Property |
| η | 0.0011773 | Pa×s | 327.60 | Calculated Property |
| η | 0.0008264 | Pa×s | 352.03 | Calculated Property |
| η | 0.0006073 | Pa×s | 376.46 | Calculated Property |
| η | 0.0004634 | Pa×s | 400.90 | Calculated Property |
| η | 0.0003647 | Pa×s | 425.33 | Calculated Property |
| η | 0.0002946 | Pa×s | 449.76 | Calculated Property |
| η | 0.0002433 | Pa×s | 474.19 | Calculated Property |
Similar Compounds
Find more compounds similar to propyl 7-octenoate.
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