- InChI
- InChI=1S/C17H27NO2/c1-4-5-6-7-8-9-14-20-17(19)15-10-12-16(13-11-15)18(2)3/h10-13H,4-9,14H2,1-3H3
- InChI Key
- YAGMLECKUBJRNO-UHFFFAOYSA-N
- Formula
- C17H27NO2
- SMILES
- CCCCCCCCOC(=O)c1ccc(N(C)C)cc1
- Molecular Weight1
- 277.40
- Other Names
-
- octyl 4-(dimethylamino)benzoate
- OPABA (Octyl dimethyl para amino benzoic acid)
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8624 | Relay (1.0) Calculated Property | |
| ΔfG° | 71.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.270 | Crippen Calculated Property | |
| McVol | 244.050 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Joback Calculated Property |
| Inp | [2266.00; 2266.00] |
|
|
| Inp | 2266.00 | NIST | |
| Inp | 2266.00 | NIST | |
| Tboil | 614.34 | K | Relay (1.0) Calculated Property |
| Tc | 815.47 | K | Relay (1.0) Calculated Property |
| Tfus | 331.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.28; 785.94] | J/mol×K | [708.75; 901.43] |
|
| Cp,gas | 695.28 | J/mol×K | 708.75 | Joback Calculated Property |
| Cp,gas | 712.76 | J/mol×K | 740.86 | Joback Calculated Property |
| Cp,gas | 729.25 | J/mol×K | 772.98 | Joback Calculated Property |
| Cp,gas | 744.78 | J/mol×K | 805.09 | Joback Calculated Property |
| Cp,gas | 759.38 | J/mol×K | 837.20 | Joback Calculated Property |
| Cp,gas | 773.09 | J/mol×K | 869.32 | Joback Calculated Property |
| Cp,gas | 785.94 | J/mol×K | 901.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to benzoic acid, 4-(dimethylamino)-, octyl ester.
Sources
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