- InChI
- InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(24)21-17-16-18-22(20-21)25-2/h16-18,20H,3-15,19H2,1-2H3
- InChI Key
- JVOYLBAHXOMJHN-UHFFFAOYSA-N
- Formula
- C23H38O3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(OC
)c1 - Molecular Weight1
- 362.55
- CAS
- 56954-75-7
- Other Names
-
- m-Methoxybenzoic acid, pentadecyl 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.
- 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 | 1.0992 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.943 | Crippen Calculated Property | |
| McVol | 324.480 | ml/mol | McGowan Calculated Property |
| Pc | 1053.46 | kPa | Joback Calculated Property |
| Inp | [2686.70; 2686.70] |
|
|
| Inp | 2686.70 | NIST | |
| Inp | 2686.70 | NIST | |
| Tboil | 656.64 | K | Relay (1.0) Calculated Property |
| Tc | 853.11 | K | Relay (1.0) Calculated Property |
| Tfus | 306.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1037.63; 1131.29] | J/mol×K | [856.01; 1052.14] |
|
| Cp,gas | 1037.63 | J/mol×K | 856.01 | Joback Calculated Property |
| Cp,gas | 1056.16 | J/mol×K | 888.70 | Joback Calculated Property |
| Cp,gas | 1073.48 | J/mol×K | 921.39 | Joback Calculated Property |
| Cp,gas | 1089.63 | J/mol×K | 954.07 | Joback Calculated Property |
| Cp,gas | 1104.62 | J/mol×K | 986.76 | Joback Calculated Property |
| Cp,gas | 1118.50 | J/mol×K | 1019.45 | Joback Calculated Property |
| Cp,gas | 1131.29 | J/mol×K | 1052.14 | Joback Calculated Property |
| η | [0.0000374; 0.0005394] | Pa×s | [482.30; 856.01] |
|
| η | 0.0005394 | Pa×s | 482.30 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 544.59 | Joback Calculated Property |
| η | 0.0001538 | Pa×s | 606.87 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 669.15 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 731.44 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 793.72 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 856.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methoxy-, pentadecyl ester.
Sources
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