- InChI
- InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20/h20H,2-18H2,1H3
- InChI Key
- VGDYDZQOBOBURK-UHFFFAOYSA-N
- Formula
- C19H38O3
- SMILES
- CCCCCCCCCCCCCCCCC(=O)OCCO
- Molecular Weight1
- 314.51
- 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 | 1.1618 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -911.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.393 | Crippen Calculated Property | |
| McVol | 291.880 | ml/mol | McGowan Calculated Property |
| Pc | 1153.00 | kPa | Joback Calculated Property |
| Inp | [2326.00; 2326.00] |
|
|
| Inp | 2326.00 | NIST | |
| Inp | 2326.00 | NIST | |
| Tboil | 621.54 | K | Relay (1.0) Calculated Property |
| Tc | 811.13 | K | Relay (1.0) Calculated Property |
| Tfus | 324.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.130 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.38; 1026.34] | 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 | 1.63170e+01 | |||
| Coefficient B | 1.78802e+00 | |||
| Coefficient C | -9.45600e-04 | |||
| Coefficient D | 1.67600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 437.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 537.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 628.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 709.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 781.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 845.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 901.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 949.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 991.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1026.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019577; 0.0000329] | Pa×s | [407.04; 673.01] |
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 | -1.65760e+01 | |||
| Coefficient B | 4.20879e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 407.04 | |||
| Temperature range, max. | 673.01 | |||
| η | 0.0019577 | Pa×s | 407.04 | Calculated Property |
| η | 0.0009722 | Pa×s | 436.59 | Calculated Property |
| η | 0.0005277 | Pa×s | 466.15 | Calculated Property |
| η | 0.0003080 | Pa×s | 495.70 | Calculated Property |
| η | 0.0001910 | Pa×s | 525.25 | Calculated Property |
| η | 0.0001247 | Pa×s | 554.80 | Calculated Property |
| η | 0.0000849 | Pa×s | 584.36 | Calculated Property |
| η | 0.0000601 | Pa×s | 613.91 | Calculated Property |
| η | 0.0000438 | Pa×s | 643.46 | Calculated Property |
| η | 0.0000329 | Pa×s | 673.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyethyl heptadecanoate.
Sources
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