- InChI
- InChI=1S/C18H28O2/c1-5-6-7-8-9-14-20-17(19)15-10-12-16(13-11-15)18(2,3)4/h10-13H,5-9,14H2,1-4H3
- InChI Key
- FHHQGIUYESVIDK-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
-
CCCCCCCOC(=O)c1ccc(C(C)(C)C)cc
1 - Molecular Weight1
- 276.41
- 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° | -27.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.46 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 5.111 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | [2058.00; 2058.00] |
|
|
| Inp | 2058.00 | NIST | |
| Inp | 2058.00 | NIST | |
| Tboil | 715.96 | K | Joback Calculated Property |
| Tc | 916.98 | K | Joback Calculated Property |
| Tfus | 406.14 | K | Joback Calculated Property |
| Vc | 0.949 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.79; 806.30] | J/mol×K | [715.96; 916.98] |
|
| Cp,gas | 712.79 | J/mol×K | 715.96 | Joback Calculated Property |
| Cp,gas | 730.94 | J/mol×K | 749.46 | Joback Calculated Property |
| Cp,gas | 748.01 | J/mol×K | 782.97 | Joback Calculated Property |
| Cp,gas | 764.02 | J/mol×K | 816.47 | Joback Calculated Property |
| Cp,gas | 779.05 | J/mol×K | 849.97 | Joback Calculated Property |
| Cp,gas | 793.12 | J/mol×K | 883.47 | Joback Calculated Property |
| Cp,gas | 806.30 | J/mol×K | 916.98 | Joback Calculated Property |
| η | [0.0000797; 0.0012678] | Pa×s | [406.14; 715.96] |
|
| η | 0.0012678 | Pa×s | 406.14 | Joback Calculated Property |
| η | 0.0006164 | Pa×s | 457.78 | Joback Calculated Property |
| η | 0.0003469 | Pa×s | 509.41 | Joback Calculated Property |
| η | 0.0002170 | Pa×s | 561.05 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 612.69 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 664.32 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 715.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, heptyl ester.
Sources
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