- InChI
- InChI=1S/C13H19NO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9H,2-5,10,14H2,1H3
- InChI Key
- UWIGKXXCHKVGHW-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CCCCCCOC(=O)c1ccc(N)cc1
- Molecular Weight1
- 221.30
- CAS
- 13476-55-6
- 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).
- 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 | 0.7818 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.006 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2386.52 | kPa | Joback Calculated Property |
| Tboil | 611.75 | K | Relay (1.0) Calculated Property |
| Tc | 799.68 | K | Relay (1.0) Calculated Property |
| Tfus | 334.00 ± 1.00 | K | NIST |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.18; 583.43] | J/mol×K | [677.32; 888.49] | 
|
| Cp,gas | 507.18 | J/mol×K | 677.32 | Joback Calculated Property |
| Cp,gas | 522.08 | J/mol×K | 712.51 | Joback Calculated Property |
| Cp,gas | 536.07 | J/mol×K | 747.71 | Joback Calculated Property |
| Cp,gas | 549.17 | J/mol×K | 782.90 | Joback Calculated Property |
| Cp,gas | 561.42 | J/mol×K | 818.10 | Joback Calculated Property |
| Cp,gas | 572.83 | J/mol×K | 853.29 | Joback Calculated Property |
| Cp,gas | 583.43 | J/mol×K | 888.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexyl 4-aminobenzoate.
Sources
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