- InChI
- InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(26)23-20-17-18-21-24(23)27-2/h17-18,20-21H,3-16,19,22H2,1-2H3
- InChI Key
- CDHBRALYVRZRGF-UHFFFAOYSA-N
- Formula
- C25H42O3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1OC - Molecular Weight1
- 390.60
- 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 | 1.1612 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.723 | Crippen Calculated Property | |
| McVol | 352.660 | ml/mol | McGowan Calculated Property |
| Pc | 933.49 | kPa | Joback Calculated Property |
| Inp | [2916.00; 2916.00] |
|
|
| Inp | 2916.00 | NIST | |
| Inp | 2916.00 | NIST | |
| Tboil | 664.79 | K | Relay (1.0) Calculated Property |
| Tc | 866.60 | K | Relay (1.0) Calculated Property |
| Tfus | 310.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1161.73; 1256.96] | J/mol×K | [901.77; 1104.50] |
|
| Cp,gas | 1161.73 | J/mol×K | 901.77 | Joback Calculated Property |
| Cp,gas | 1180.82 | J/mol×K | 935.56 | Joback Calculated Property |
| Cp,gas | 1198.58 | J/mol×K | 969.35 | Joback Calculated Property |
| Cp,gas | 1215.03 | J/mol×K | 1003.14 | Joback Calculated Property |
| Cp,gas | 1230.22 | J/mol×K | 1036.92 | Joback Calculated Property |
| Cp,gas | 1244.18 | J/mol×K | 1070.71 | Joback Calculated Property |
| Cp,gas | 1256.96 | J/mol×K | 1104.50 | Joback Calculated Property |
| η | [0.0000280; 0.0004314] | Pa×s | [504.84; 901.77] |
|
| η | 0.0004314 | Pa×s | 504.84 | Joback Calculated Property |
| η | 0.0002100 | Pa×s | 571.00 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 637.15 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 703.30 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 769.46 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 835.61 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 901.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, heptadecyl ester.
Sources
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