- InChI
- InChI=1S/C18H29NO2/c1-14(2)10-12-19(13-11-15(3)4)17-9-7-6-8-16(17)18(20)21-5/h6-9,14-15H,10-13H2,1-5H3
- InChI Key
- CMDCODYECSVZCS-UHFFFAOYSA-N
- Formula
- C18H29NO2
- SMILES
-
COC(=O)c1ccccc1N(CCC(C)C)CCC(C
)C - Molecular Weight1
- 291.43
- 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 | 0.7763 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.372 | Crippen Calculated Property | |
| McVol | 258.140 | ml/mol | McGowan Calculated Property |
| Pc | 1514.03 | kPa | Joback Calculated Property |
| Inp | 2105.00 | NIST | |
| Tboil | 609.95 | K | Relay (1.0) Calculated Property |
| Tc | 805.58 | K | Relay (1.0) Calculated Property |
| Tfus | 290.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.95; 847.04] | J/mol×K | [730.75; 927.66] | 
|
| Cp,gas | 752.95 | J/mol×K | 730.75 | Joback Calculated Property |
| Cp,gas | 771.23 | J/mol×K | 763.57 | Joback Calculated Property |
| Cp,gas | 788.42 | J/mol×K | 796.39 | Joback Calculated Property |
| Cp,gas | 804.56 | J/mol×K | 829.20 | Joback Calculated Property |
| Cp,gas | 819.68 | J/mol×K | 862.02 | Joback Calculated Property |
| Cp,gas | 833.83 | J/mol×K | 894.84 | Joback Calculated Property |
| Cp,gas | 847.04 | J/mol×K | 927.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-di(3-methylbutyl)amino-, methyl ester.
Sources
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