- InChI
- InChI=1S/C19H30O2/c1-5-6-7-8-9-10-15-21-18(20)16-11-13-17(14-12-16)19(2,3)4/h11-14H,5-10,15H2,1-4H3
- InChI Key
- LYHCEGUOXQINQJ-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
-
CCCCCCCCOC(=O)c1ccc(C(C)(C)C)c
c1 - Molecular Weight1
- 290.44
- 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 | 0.8150 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.501 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1412.25 | kPa | Joback Calculated Property |
| Inp | [2162.00; 2162.00] |
|
|
| Inp | 2162.00 | NIST | |
| Inp | 2162.00 | NIST | |
| Tboil | 602.05 | K | Relay (1.0) Calculated Property |
| Tc | 805.73 | K | Relay (1.0) Calculated Property |
| Tfus | 285.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.69; 864.33] | J/mol×K | [738.84; 938.09] |
|
| Cp,gas | 769.69 | J/mol×K | 738.84 | Joback Calculated Property |
| Cp,gas | 788.05 | J/mol×K | 772.05 | Joback Calculated Property |
| Cp,gas | 805.31 | J/mol×K | 805.26 | Joback Calculated Property |
| Cp,gas | 821.51 | J/mol×K | 838.47 | Joback Calculated Property |
| Cp,gas | 836.72 | J/mol×K | 871.67 | Joback Calculated Property |
| Cp,gas | 850.97 | J/mol×K | 904.88 | Joback Calculated Property |
| Cp,gas | 864.33 | J/mol×K | 938.09 | Joback Calculated Property |
| η | [0.0000697; 0.0011512] | Pa×s | [417.41; 738.84] |
|
| η | 0.0011512 | Pa×s | 417.41 | Joback Calculated Property |
| η | 0.0005530 | Pa×s | 470.98 | Joback Calculated Property |
| η | 0.0003086 | Pa×s | 524.55 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 578.12 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 631.70 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 685.27 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 738.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, octyl ester.
Sources
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