- InChI
- InChI=1S/C13H19NO2/c1-3-9-14-12-7-5-11(6-8-12)13(15)16-10-4-2/h5-8,14H,3-4,9-10H2,1-2H3
- InChI Key
- UFDQTONASDVNAF-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CCCNc1ccc(C(=O)OCCC)cc1
- Molecular Weight1
- 221.30
- 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 | 0.7237 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Inp | [1982.00; 1982.00] |
|
|
| Inp | 1982.00 | NIST | |
| Inp | 1982.00 | NIST | |
| Tboil | 591.86 | K | Relay (1.0) Calculated Property |
| Tc | 786.61 | K | Relay (1.0) Calculated Property |
| Tfus | 317.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.54; 575.04] | J/mol×K | [654.96; 858.94] |
|
| Cp,gas | 496.54 | J/mol×K | 654.96 | Joback Calculated Property |
| Cp,gas | 511.74 | J/mol×K | 688.96 | Joback Calculated Property |
| Cp,gas | 526.06 | J/mol×K | 722.95 | Joback Calculated Property |
| Cp,gas | 539.54 | J/mol×K | 756.95 | Joback Calculated Property |
| Cp,gas | 552.17 | J/mol×K | 790.95 | Joback Calculated Property |
| Cp,gas | 564.00 | J/mol×K | 824.95 | Joback Calculated Property |
| Cp,gas | 575.04 | J/mol×K | 858.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-propylamino-, propyl ester.
Sources
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