- InChI
- InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3
- InChI Key
- QNRYOQRUGRVBRL-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCCCCC(=O)OCc1ccccc1
- Molecular Weight1
- 290.45
- Other Names
-
- Benzyl dodecanoate
- Benzyl laurate
- Dodecanoic acid, benzyl ester
- Lauric acid, benzyl ester
- 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 | 0.8693 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.651 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1365.67 | kPa | Joback Calculated Property |
| Inp | [2097.00; 2097.00] |
|
|
| Inp | 2097.00 | NIST | |
| Inp | 2097.00 | NIST | |
| Tboil | 604.59 | K | Relay (1.0) Calculated Property |
| Tc | 811.83 | K | Relay (1.0) Calculated Property |
| Tfus | 281.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.997 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.62; 889.14] | 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 | -2.28790e+01 | |||
| Coefficient B | 1.67512e+00 | |||
| Coefficient C | -9.46400e-04 | |||
| Coefficient D | 1.83300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 541.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 614.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 678.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 734.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 782.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 824.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 859.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 889.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0174922; 0.0001193] | Pa×s | [281.65; 635.57] |
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 | -1.30026e+01 | |||
| Coefficient B | 2.52262e+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. | 281.65 | |||
| Temperature range, max. | 635.57 | |||
| η | 0.0174922 | Pa×s | 281.65 | Calculated Property |
| η | 0.0058382 | Pa×s | 320.97 | Calculated Property |
| η | 0.0024760 | Pa×s | 360.30 | Calculated Property |
| η | 0.0012432 | Pa×s | 399.62 | Calculated Property |
| η | 0.0007062 | Pa×s | 438.95 | Calculated Property |
| η | 0.0004403 | Pa×s | 478.27 | Calculated Property |
| η | 0.0002949 | Pa×s | 517.60 | Calculated Property |
| η | 0.0002090 | Pa×s | 556.92 | Calculated Property |
| η | 0.0001551 | Pa×s | 596.25 | Calculated Property |
| η | 0.0001193 | Pa×s | 635.57 | Calculated Property |
Similar Compounds
Find more compounds similar to DODECANOIC ACID, PHENYLMETHYL ESTER.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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