- InChI
- InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3
- InChI Key
- BPSLVNCMKDXZPC-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCc1cccc
c1 - Molecular Weight1
- 374.60
- CAS
- 5531-65-7
- Other Names
-
- Benzyl stearate
- 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 | 1.0834 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.991 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 928.37 | kPa | Joback Calculated Property |
| Inp | [2727.00; 2794.30] |
|
|
| Inp | 2794.30 | NIST | |
| Inp | 2727.00 | NIST | |
| Inp | 2794.30 | NIST | |
| Tboil | 646.29 | K | Relay (1.0) Calculated Property |
| Tc | 856.56 | K | Relay (1.0) Calculated Property |
| Tfus | 299.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.327 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.91; 1198.69] | 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 | -2.83330e+01 | |||
| Coefficient B | 2.24512e+00 | |||
| Coefficient C | -1.27280e-03 | |||
| Coefficient D | 2.54700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 494.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 617.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 727.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 825.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 911.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 987.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1052.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1109.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1157.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1198.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009789; 0.0000586] | Pa×s | [440.26; 735.74] |
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 | -1.39421e+01 | |||
| Coefficient B | 3.08758e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 440.26 | |||
| Temperature range, max. | 735.74 | |||
| η | 0.0009789 | Pa×s | 440.26 | Calculated Property |
| η | 0.0006017 | Pa×s | 473.09 | Calculated Property |
| η | 0.0003940 | Pa×s | 505.92 | Calculated Property |
| η | 0.0002716 | Pa×s | 538.75 | Calculated Property |
| η | 0.0001954 | Pa×s | 571.58 | Calculated Property |
| η | 0.0001457 | Pa×s | 604.41 | Calculated Property |
| η | 0.0001120 | Pa×s | 637.25 | Calculated Property |
| η | 0.0000883 | Pa×s | 670.08 | Calculated Property |
| η | 0.0000712 | Pa×s | 702.91 | Calculated Property |
| η | 0.0000586 | Pa×s | 735.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, phenylmethyl ester.
Sources
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