- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -87.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.22 | Crippen Calculated Property | |
| logPoct/wat | 7.332 | Crippen Calculated Property | |
| McVol | 338.570 | ml/mol | McGowan Calculated Property |
| Pc | 995.76 | kPa | Joback Calculated Property |
| Inp | [2607.50; 2607.50] |
|
|
| Inp | 2607.50 | NIST | |
| Inp | 2607.50 | NIST | |
| Tboil | 878.45 | K | Joback Calculated Property |
| Tc | 1078.15 | K | Joback Calculated Property |
| Tfus | 478.57 | K | Joback Calculated Property |
| Vc | 1.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1099.82; 1194.26] | J/mol×K | [878.45; 1078.15] |
|
| Cp,gas | 1099.82 | J/mol×K | 878.45 | Joback Calculated Property |
| Cp,gas | 1118.67 | J/mol×K | 911.73 | Joback Calculated Property |
| Cp,gas | 1136.23 | J/mol×K | 945.02 | Joback Calculated Property |
| Cp,gas | 1152.53 | J/mol×K | 978.30 | Joback Calculated Property |
| Cp,gas | 1167.62 | J/mol×K | 1011.59 | Joback Calculated Property |
| Cp,gas | 1181.51 | J/mol×K | 1044.87 | Joback Calculated Property |
| Cp,gas | 1194.26 | J/mol×K | 1078.15 | Joback Calculated Property |
| η | [0.0000296; 0.0005549] | Pa×s | [478.57; 878.45] |
|
| η | 0.0005549 | Pa×s | 478.57 | Joback Calculated Property |
| η | 0.0002526 | Pa×s | 545.22 | Joback Calculated Property |
| η | 0.0001365 | Pa×s | 611.86 | Joback Calculated Property |
| η | 0.0000833 | Pa×s | 678.51 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 745.16 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 811.80 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 878.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Anisic acid, 4-hexadecyl ester.
Sources
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