- InChI
- InChI=1S/C20H40O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23-4-2/h19,21H,3-18H2,1-2H3
- InChI Key
- BXRPWBZYLZSTNL-UHFFFAOYSA-N
- Formula
- C20H40O3
- SMILES
- CCCCCCCCCCCCCCCC(O)CC(=O)OCC
- Molecular Weight1
- 328.53
- CAS
- 65144-03-8
- 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.
- 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 | 1.1029 | Relay (1.0) Calculated Property | |
| ΔfG° | -332.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -955.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.782 | Crippen Calculated Property | |
| McVol | 305.970 | ml/mol | McGowan Calculated Property |
| Pc | 1087.06 | kPa | Joback Calculated Property |
| Inp | [2347.90; 2347.90] |
|
|
| Inp | 2347.90 | NIST | |
| Inp | 2347.90 | NIST | |
| Tboil | 611.77 | K | Relay (1.0) Calculated Property |
| Tc | 805.75 | K | Relay (1.0) Calculated Property |
| Tfus | 326.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.187 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.28; 1078.47] | 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 | 1.37260e+01 | |||
| Coefficient B | 1.88894e+00 | |||
| Coefficient C | -1.00320e-03 | |||
| Coefficient D | 1.79000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 458.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 564.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 659.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 745.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 821.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 888.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 946.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 997.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1041.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1078.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022373; 0.0000251] | Pa×s | [403.31; 691.88] |
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 | -1.68654e+01 | |||
| Coefficient B | 4.34077e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 403.31 | |||
| Temperature range, max. | 691.88 | |||
| η | 0.0022373 | Pa×s | 403.31 | Calculated Property |
| η | 0.0010127 | Pa×s | 435.37 | Calculated Property |
| η | 0.0005111 | Pa×s | 467.44 | Calculated Property |
| η | 0.0002816 | Pa×s | 499.50 | Calculated Property |
| η | 0.0001667 | Pa×s | 531.56 | Calculated Property |
| η | 0.0001048 | Pa×s | 563.63 | Calculated Property |
| η | 0.0000692 | Pa×s | 595.69 | Calculated Property |
| η | 0.0000477 | Pa×s | 627.76 | Calculated Property |
| η | 0.0000341 | Pa×s | 659.82 | Calculated Property |
| η | 0.0000251 | Pa×s | 691.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-hydroxyoctadecanoate.
Sources
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