- InChI
- InChI=1S/C16H24O2/c1-5-6-7-12-18-15(17)13-8-10-14(11-9-13)16(2,3)4/h8-11H,5-7,12H2,1-4H3
- InChI Key
- NMZMYUFNTICNPP-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCCOC(=O)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 248.36
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -44.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 4.331 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | [1848.00; 1848.00] |
|
|
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Tboil | 670.20 | K | Joback Calculated Property |
| Tc | 876.07 | K | Joback Calculated Property |
| Tfus | 383.60 | K | Joback Calculated Property |
| Vc | 0.837 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.34; 692.96] | J/mol×K | [670.20; 876.07] |
|
| Cp,gas | 602.34 | J/mol×K | 670.20 | Joback Calculated Property |
| Cp,gas | 619.97 | J/mol×K | 704.51 | Joback Calculated Property |
| Cp,gas | 636.53 | J/mol×K | 738.82 | Joback Calculated Property |
| Cp,gas | 652.07 | J/mol×K | 773.14 | Joback Calculated Property |
| Cp,gas | 666.62 | J/mol×K | 807.45 | Joback Calculated Property |
| Cp,gas | 680.24 | J/mol×K | 841.76 | Joback Calculated Property |
| Cp,gas | 692.96 | J/mol×K | 876.07 | Joback Calculated Property |
| η | [0.0001032; 0.0015113] | Pa×s | [383.60; 670.20] |
|
| η | 0.0015113 | Pa×s | 383.60 | Joback Calculated Property |
| η | 0.0007542 | Pa×s | 431.37 | Joback Calculated Property |
| η | 0.0004323 | Pa×s | 479.13 | Joback Calculated Property |
| η | 0.0002741 | Pa×s | 526.90 | Joback Calculated Property |
| η | 0.0001875 | Pa×s | 574.67 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 622.43 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 670.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, pentyl ester.
Sources
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