- InChI
- InChI=1S/C26H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-26(27)24-21-18-19-22-25(24)28-2/h18-19,21-22H,3-17,20,23H2,1-2H3
- InChI Key
- HDHYOOMZRWVCLA-UHFFFAOYSA-N
- Formula
- C26H44O3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1OC - Molecular Weight1
- 404.63
- CAS
- 96173-98-7
- 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 | 1.1964 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.114 | Crippen Calculated Property | |
| McVol | 366.750 | ml/mol | McGowan Calculated Property |
| Pc | 881.04 | kPa | Joback Calculated Property |
| Inp | [2938.60; 2938.60] |
|
|
| Inp | 2938.60 | NIST | |
| Inp | 2938.60 | NIST | |
| Tboil | 671.15 | K | Relay (1.0) Calculated Property |
| Tc | 873.36 | K | Relay (1.0) Calculated Property |
| Tfus | 313.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1224.64; 1320.71] | J/mol×K | [924.65; 1132.03] |
|
| Cp,gas | 1224.64 | J/mol×K | 924.65 | Joback Calculated Property |
| Cp,gas | 1244.06 | J/mol×K | 959.21 | Joback Calculated Property |
| Cp,gas | 1262.05 | J/mol×K | 993.78 | Joback Calculated Property |
| Cp,gas | 1278.67 | J/mol×K | 1028.34 | Joback Calculated Property |
| Cp,gas | 1293.96 | J/mol×K | 1062.90 | Joback Calculated Property |
| Cp,gas | 1307.96 | J/mol×K | 1097.47 | Joback Calculated Property |
| Cp,gas | 1320.71 | J/mol×K | 1132.03 | Joback Calculated Property |
| η | [0.0000241; 0.0003838] | Pa×s | [516.11; 924.65] |
|
| η | 0.0003838 | Pa×s | 516.11 | Joback Calculated Property |
| η | 0.0001850 | Pa×s | 584.20 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 652.29 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 720.38 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 788.47 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 856.56 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 924.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Methoxybenzoic acid, octadecyl ester.
Sources
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