- InChI
- InChI=1S/C14H21NO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11,15H2,1H3
- InChI Key
- IAHJVNSZPMIREM-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- CCCCCCCOC(=O)c1ccc(N)cc1
- Molecular Weight1
- 235.32
- Other Names
-
- heptyl-4-aminobenzoate
- 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 | 0.8215 | Relay (... Calculated Property | |
| ΔfG° | 2.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.41 | kJ/mol | Relay (... Calculated Property |
| IE | 7.96 | eV | Relay (... Calculated Property |
| log10WS | -4.60 | Aq. Sol... | |
| logPoct/wat | 3.396 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2054.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2054.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Tboil | 621.90 | K | Relay (... Calculated Property |
| Tc | 810.04 | K | Relay (... Calculated Property |
| Tfus | 332.96 | K | Relay (... Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.99; 638.51] | J/mol×K | [700.20; 908.41] |
|
| Cp,gas | 559.99 | J/mol×K | 700.20 | Joback Calculated Property |
| Cp,gas | 575.33 | J/mol×K | 734.90 | Joback Calculated Property |
| Cp,gas | 589.73 | J/mol×K | 769.60 | Joback Calculated Property |
| Cp,gas | 603.22 | J/mol×K | 804.31 | Joback Calculated Property |
| Cp,gas | 615.83 | J/mol×K | 839.01 | Joback Calculated Property |
| Cp,gas | 627.58 | J/mol×K | 873.71 | Joback Calculated Property |
| Cp,gas | 638.51 | J/mol×K | 908.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl p-aminobenzoate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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