- InChI
- InChI=1S/C17H26O3/c1-3-5-7-13-19-16-11-9-15(10-12-16)17(18)20-14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
- InChI Key
- LINWQIFFERKCKA-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
- CCCCCOC(=O)c1ccc(OCCCCC)cc1
- Molecular Weight1
- 278.39
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.8850 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -616.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.603 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1593.62 | kPa | Joback Calculated Property |
| Inp | 2162.00 | NIST | |
| Tboil | 612.86 | K | Relay (1.0) Calculated Property |
| Tc | 798.96 | K | Relay (1.0) Calculated Property |
| Tfus | 288.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.80; 771.65] | J/mol×K | [718.73; 912.24] | 
|
| Cp,gas | 683.80 | J/mol×K | 718.73 | Joback Calculated Property |
| Cp,gas | 700.78 | J/mol×K | 750.98 | Joback Calculated Property |
| Cp,gas | 716.81 | J/mol×K | 783.23 | Joback Calculated Property |
| Cp,gas | 731.90 | J/mol×K | 815.49 | Joback Calculated Property |
| Cp,gas | 746.06 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 759.31 | J/mol×K | 879.99 | Joback Calculated Property |
| Cp,gas | 771.65 | J/mol×K | 912.24 | Joback Calculated Property |
| η | [0.0000834; 0.0009484] | Pa×s | [414.68; 718.73] |
|
| η | 0.0009484 | Pa×s | 414.68 | Joback Calculated Property |
| η | 0.0005072 | Pa×s | 465.36 | Joback Calculated Property |
| η | 0.0003067 | Pa×s | 516.03 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 566.71 | Joback Calculated Property |
| η | 0.0001437 | Pa×s | 617.38 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 668.06 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 718.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-pentyloxy-, pentyl ester.
Sources
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