- InChI
- InChI=1S/C14H21NO2/c1-3-5-10-15-13-8-6-12(7-9-13)14(16)17-11-4-2/h6-9,15H,3-5,10-11H2,1-2H3
- InChI Key
- FURXDUXIEDITMM-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- CCCCNc1ccc(C(=O)OCCC)cc1
- 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 | 0.7616 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Inp | [2239.00; 2270.00] |
|
|
| Inp | 2239.00 | NIST | |
| Inp | 2252.00 | NIST | |
| Inp | 2270.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Tboil | 604.77 | K | Relay (1.0) Calculated Property |
| Tc | 801.48 | K | Relay (1.0) Calculated Property |
| Tfus | 314.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.06; 629.90] | J/mol×K | [677.84; 879.21] |
|
| Cp,gas | 549.06 | J/mol×K | 677.84 | Joback Calculated Property |
| Cp,gas | 564.72 | J/mol×K | 711.40 | Joback Calculated Property |
| Cp,gas | 579.47 | J/mol×K | 744.96 | Joback Calculated Property |
| Cp,gas | 593.34 | J/mol×K | 778.52 | Joback Calculated Property |
| Cp,gas | 606.36 | J/mol×K | 812.08 | Joback Calculated Property |
| Cp,gas | 618.53 | J/mol×K | 845.65 | Joback Calculated Property |
| Cp,gas | 629.90 | J/mol×K | 879.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl p-butylaminobenzoate.
Sources
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