- InChI
- InChI=1S/C24H48O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27-4-2/h23,25H,3-22H2,1-2H3
- InChI Key
- VJPPKNNPTLDPFE-UHFFFAOYSA-N
- Formula
- C24H48O3
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(O)CC(=O)O
CC - Molecular Weight1
- 384.64
- 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 | 1.2435 | Relay (1.0) Calculated Property | |
| ΔfG° | -298.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1035.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.342 | Crippen Calculated Property | |
| McVol | 362.330 | ml/mol | McGowan Calculated Property |
| Pc | 856.47 | kPa | Joback Calculated Property |
| Inp | [2749.90; 2749.90] |
|
|
| Inp | 2749.90 | NIST | |
| Inp | 2749.90 | NIST | |
| Tboil | 638.65 | K | Relay (1.0) Calculated Property |
| Tc | 835.39 | K | Relay (1.0) Calculated Property |
| Tfus | 337.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.409 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.14; 1284.83] | 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 | 1.00900e+01 | |||
| Coefficient B | 2.26894e+00 | |||
| Coefficient C | -1.22080e-03 | |||
| Coefficient D | 2.26600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 543.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 670.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 784.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 886.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 976.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1056.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1126.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1187.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1240.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1284.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009276; 0.0000111] | Pa×s | [448.39; 773.84] |
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 | -1.75037e+01 | |||
| Coefficient B | 4.71741e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 448.39 | |||
| Temperature range, max. | 773.84 | |||
| η | 0.0009276 | Pa×s | 448.39 | Calculated Property |
| η | 0.0004230 | Pa×s | 484.55 | Calculated Property |
| η | 0.0002152 | Pa×s | 520.71 | Calculated Property |
| η | 0.0001195 | Pa×s | 556.87 | Calculated Property |
| η | 0.0000713 | Pa×s | 593.04 | Calculated Property |
| η | 0.0000451 | Pa×s | 629.20 | Calculated Property |
| η | 0.0000300 | Pa×s | 665.36 | Calculated Property |
| η | 0.0000208 | Pa×s | 701.52 | Calculated Property |
| η | 0.0000150 | Pa×s | 737.68 | Calculated Property |
| η | 0.0000111 | Pa×s | 773.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-hydroxydocosanoate.
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