- InChI
- InChI=1S/C29H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-28(30)26-21-23-27(24-22-26)29(2,3)4/h21-24H,5-20,25H2,1-4H3
- InChI Key
- LOEGNUHLVGAMMW-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(
C(C)(C)C)cc1 - Molecular Weight1
- 430.71
- 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 | 1.1827 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.402 | Crippen Calculated Property | |
| McVol | 403.150 | ml/mol | McGowan Calculated Property |
| Pc | 762.68 | kPa | Joback Calculated Property |
| Inp | [3203.00; 3203.00] |
|
|
| Inp | 3203.00 | NIST | |
| Inp | 3203.00 | NIST | |
| Tboil | 672.86 | K | Relay (1.0) Calculated Property |
| Tc | 884.85 | K | Relay (1.0) Calculated Property |
| Tfus | 309.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1384.11; 1490.98] | J/mol×K | [967.64; 1185.14] |
|
| Cp,gas | 1384.11 | J/mol×K | 967.64 | Joback Calculated Property |
| Cp,gas | 1405.07 | J/mol×K | 1003.89 | Joback Calculated Property |
| Cp,gas | 1424.64 | J/mol×K | 1040.14 | Joback Calculated Property |
| Cp,gas | 1442.91 | J/mol×K | 1076.39 | Joback Calculated Property |
| Cp,gas | 1460.00 | J/mol×K | 1112.64 | Joback Calculated Property |
| Cp,gas | 1475.99 | J/mol×K | 1148.89 | Joback Calculated Property |
| Cp,gas | 1490.98 | J/mol×K | 1185.14 | Joback Calculated Property |
| η | [0.0000158; 0.0003502] | Pa×s | [530.11; 967.64] |
|
| η | 0.0003502 | Pa×s | 530.11 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 603.03 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 675.95 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 748.88 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 821.80 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 894.72 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 967.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, octadecyl ester.
Sources
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