- InChI
- InChI=1S/C14H21NO2/c1-10(2)15(11(3)4)13-8-6-7-12(9-13)14(16)17-5/h6-11H,1-5H3
- InChI Key
- SJFUEBVCFPNMLM-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- COC(=O)c1cccc(N(C(C)C)C(C)C)c1
- Molecular Weight1
- 235.32
- 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 | 0.6186 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.096 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | 1962.00 | NIST | |
| Tboil | 561.50 | K | Relay (1.0) Calculated Property |
| Tc | 768.27 | K | Relay (1.0) Calculated Property |
| Tfus | 356.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.13; 621.24] | J/mol×K | [639.23; 845.27] | 
|
| Cp,gas | 533.13 | J/mol×K | 639.23 | Joback Calculated Property |
| Cp,gas | 550.25 | J/mol×K | 673.57 | Joback Calculated Property |
| Cp,gas | 566.36 | J/mol×K | 707.91 | Joback Calculated Property |
| Cp,gas | 581.48 | J/mol×K | 742.25 | Joback Calculated Property |
| Cp,gas | 595.65 | J/mol×K | 776.59 | Joback Calculated Property |
| Cp,gas | 608.89 | J/mol×K | 810.93 | Joback Calculated Property |
| Cp,gas | 621.24 | J/mol×K | 845.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-di(isopropyl)amino-, methyl ester.
Sources
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