- InChI
- InChI=1S/C24H40O3/c1-4-6-7-8-9-10-11-12-13-14-18-22(16-5-2)27-24(25)21-17-15-19-23(20-21)26-3/h15,17,19-20,22H,4-14,16,18H2,1-3H3
- InChI Key
- SNFPEGWFVGNLQS-UHFFFAOYSA-N
- Formula
- C24H40O3
- SMILES
-
CCCCCCCCCCCCC(CCC)OC(=O)c1cccc
(OC)c1 - Molecular Weight1
- 376.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -734.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.332 | Crippen Calculated Property | |
| McVol | 338.570 | ml/mol | McGowan Calculated Property |
| Inp | [2607.50; 2607.50] |
|
|
| Inp | 2607.50 | NIST | |
| Inp | 2607.50 | NIST | |
| Tboil | 657.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1091.34; 1186.08] | J/mol×K | [860.58; 1057.06] |
|
| Cp,gas | 1091.34 | J/mol×K | 860.58 | Joback Calculated Property |
| Cp,gas | 1110.27 | J/mol×K | 893.33 | Joback Calculated Property |
| Cp,gas | 1127.90 | J/mol×K | 926.07 | Joback Calculated Property |
| Cp,gas | 1144.27 | J/mol×K | 958.82 | Joback Calculated Property |
| Cp,gas | 1159.39 | J/mol×K | 991.57 | Joback Calculated Property |
| Cp,gas | 1173.32 | J/mol×K | 1024.32 | Joback Calculated Property |
| Cp,gas | 1186.08 | J/mol×K | 1057.06 | Joback Calculated Property |
| η | [0.0000260; 0.0007094] | Pa×s | [448.74; 860.58] |
|
| η | 0.0007094 | Pa×s | 448.74 | Joback Calculated Property |
| η | 0.0002835 | Pa×s | 517.38 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 586.02 | Joback Calculated Property |
| η | 0.0000806 | Pa×s | 654.66 | Joback Calculated Property |
| η | 0.0000514 | Pa×s | 723.30 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 791.94 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 860.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Anisic acid, 4-hexadecyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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