- InChI
- InChI=1S/C12H24O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h11,13H,3-10H2,1-2H3
- InChI Key
- NOAJFMNAQIUPEX-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCCCCC(O)CC(=O)OCC
- Molecular Weight1
- 216.32
- 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 | 0.8212 | Relay (1.0) Calculated Property | |
| ΔfG° | -399.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| I | [2102.00; 2102.00] |
|
|
| I | 2102.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2102.00 | NIST | |
| Tboil | 529.54 | K | Relay (1.0) Calculated Property |
| Tc | 720.49 | K | Relay (1.0) Calculated Property |
| Tfus | 281.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.57; 665.74] | 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 | 2.09980e+01 | |||
| Coefficient B | 1.12894e+00 | |||
| Coefficient C | -5.68000e-04 | |||
| Coefficient D | 8.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 288.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 411.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 463.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 509.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 550.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 586.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 617.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 643.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 665.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0144784; 0.0001004] | Pa×s | [313.15; 553.20] |
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 | -1.56912e+01 | |||
| Coefficient B | 3.58749e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 313.15 | |||
| Temperature range, max. | 553.20 | |||
| η | 0.0144784 | Pa×s | 313.15 | Calculated Property |
| η | 0.0058914 | Pa×s | 339.82 | Calculated Property |
| η | 0.0027325 | Pa×s | 366.49 | Calculated Property |
| η | 0.0014066 | Pa×s | 393.17 | Calculated Property |
| η | 0.0007878 | Pa×s | 419.84 | Calculated Property |
| η | 0.0004729 | Pa×s | 446.51 | Calculated Property |
| η | 0.0003006 | Pa×s | 473.18 | Calculated Property |
| η | 0.0002006 | Pa×s | 499.85 | Calculated Property |
| η | 0.0001395 | Pa×s | 526.52 | Calculated Property |
| η | 0.0001004 | Pa×s | 553.20 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 3-hydroxydecanoate.
Sources
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