- InChI
- InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3
- InChI Key
- OCCJNJQOJXFKQO-UHFFFAOYSA-N
- Formula
- C30H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCc
1ccccc1 - Molecular Weight1
- 444.74
- 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 | 1.2573 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.594 | Crippen Calculated Property | |
| McVol | 417.240 | ml/mol | McGowan Calculated Property |
| Pc | 706.58 | kPa | Joback Calculated Property |
| Inp | [3324.00; 3324.00] |
|
|
| Inp | 3324.00 | NIST | |
| Inp | 3324.00 | NIST | |
| Tboil | 688.42 | K | Relay (1.0) Calculated Property |
| Tc | 889.33 | K | Relay (1.0) Calculated Property |
| Tfus | 308.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.602 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.98; 1456.64] | 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 | -3.28780e+01 | |||
| Coefficient B | 2.72012e+00 | |||
| Coefficient C | -1.54480e-03 | |||
| Coefficient D | 3.14200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 600.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 750.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 883.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1001.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1106.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1197.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1277.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1347.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1406.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1456.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005004; 0.0000275] | Pa×s | [496.61; 834.69] |
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 | -1.47655e+01 | |||
| Coefficient B | 3.55838e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 496.61 | |||
| Temperature range, max. | 834.69 | |||
| η | 0.0005004 | Pa×s | 496.61 | Calculated Property |
| η | 0.0003023 | Pa×s | 534.17 | Calculated Property |
| η | 0.0001952 | Pa×s | 571.74 | Calculated Property |
| η | 0.0001330 | Pa×s | 609.30 | Calculated Property |
| η | 0.0000947 | Pa×s | 646.87 | Calculated Property |
| η | 0.0000700 | Pa×s | 684.43 | Calculated Property |
| η | 0.0000534 | Pa×s | 722.00 | Calculated Property |
| η | 0.0000419 | Pa×s | 759.56 | Calculated Property |
| η | 0.0000336 | Pa×s | 797.13 | Calculated Property |
| η | 0.0000275 | Pa×s | 834.69 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenylethyl docosanoate.
Sources
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