- InChI
- InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
- InChI Key
- DLAHAXOYRFRPFQ-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCCCCCOC(=O)c1ccccc1
- Molecular Weight1
- 290.44
- CAS
- 2915-72-2
- Other Names
-
- Benzoic acid, dodecyl 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.
- I : 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 | 0.9025 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.764 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1408.01 | kPa | Joback Calculated Property |
| Inp | [2155.00; 2189.00] |
|
|
| Inp | 2157.00 | NIST | |
| Inp | 2159.00 | NIST | |
| Inp | 2166.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Inp | 2163.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Inp | 2168.00 | NIST | |
| Inp | 2181.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Inp | 2155.00 | NIST | |
| I | [2677.00; 2710.00] |
|
|
| I | 2681.00 | NIST | |
| I | 2709.00 | NIST | |
| I | 2694.00 | NIST | |
| I | 2681.00 | NIST | |
| I | 2701.00 | NIST | |
| I | 2708.00 | NIST | |
| I | 2677.00 | NIST | |
| I | 2691.00 | NIST | |
| I | 2709.00 | NIST | |
| I | 2694.00 | NIST | |
| I | 2710.00 | NIST | |
| I | 2683.00 | NIST | |
| I | 2701.00 | NIST | |
| Tboil | 611.74 | K | Relay (1.0) Calculated Property |
| Tc | 810.69 | K | Relay (1.0) Calculated Property |
| Tfus | 285.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.000 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.05; 861.65] | J/mol×K | [737.09; 928.11] |
|
| Cp,gas | 768.05 | J/mol×K | 737.09 | Joback Calculated Property |
| Cp,gas | 786.09 | J/mol×K | 768.93 | Joback Calculated Property |
| Cp,gas | 803.11 | J/mol×K | 800.76 | Joback Calculated Property |
| Cp,gas | 819.14 | J/mol×K | 832.60 | Joback Calculated Property |
| Cp,gas | 834.22 | J/mol×K | 864.43 | Joback Calculated Property |
| Cp,gas | 848.38 | J/mol×K | 896.27 | Joback Calculated Property |
| Cp,gas | 861.65 | J/mol×K | 928.11 | Joback Calculated Property |
| η | [0.0000845; 0.0014187] | Pa×s | [402.47; 737.09] |
|
| η | 0.0014187 | Pa×s | 402.47 | Joback Calculated Property |
| η | 0.0006659 | Pa×s | 458.24 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 514.01 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 569.78 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 625.55 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 681.32 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 737.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dodecyl benzoate.
Sources
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