- InChI
- InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-21(22)19-15-14-16-20(18-19)23-2/h14-16,18H,3-13,17H2,1-2H3
- InChI Key
- BCRGROQQCHLFHT-UHFFFAOYSA-N
- Formula
- C21H34O3
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1cccc(OC)c
1 - Molecular Weight1
- 334.49
- CAS
- 69833-37-0
- Other Names
-
- m-Methoxybenzoic acid, tridecyl ester
- 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° | -110.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 6.163 | Crippen Calculated Property | |
| McVol | 296.300 | ml/mol | McGowan Calculated Property |
| Pc | 1198.13 | kPa | Joback Calculated Property |
| Inp | 2515.50 | NIST | |
| Tboil | 810.25 | K | Joback Calculated Property |
| Tc | 1002.94 | K | Joback Calculated Property |
| Tfus | 459.76 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.24; 1008.32] | J/mol×K | [810.25; 1002.94] | 
|
| Cp,gas | 916.24 | J/mol×K | 810.25 | Joback Calculated Property |
| Cp,gas | 934.27 | J/mol×K | 842.36 | Joback Calculated Property |
| Cp,gas | 951.20 | J/mol×K | 874.48 | Joback Calculated Property |
| Cp,gas | 967.05 | J/mol×K | 906.59 | Joback Calculated Property |
| Cp,gas | 981.83 | J/mol×K | 938.71 | Joback Calculated Property |
| Cp,gas | 995.58 | J/mol×K | 970.82 | Joback Calculated Property |
| Cp,gas | 1008.32 | J/mol×K | 1002.94 | Joback Calculated Property |
| η | [0.0000494; 0.0006638] | Pa×s | [459.76; 810.25] |
|
| η | 0.0006638 | Pa×s | 459.76 | Joback Calculated Property |
| η | 0.0003374 | Pa×s | 518.17 | Joback Calculated Property |
| η | 0.0001967 | Pa×s | 576.59 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 635.00 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 693.42 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 751.84 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 810.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methoxy-, tridecyl ester.
Sources
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