- InChI
- InChI=1S/C19H30O3/c1-3-5-7-8-9-10-16-22-19(20)17-11-13-18(14-12-17)21-15-6-4-2/h11-14H,3-10,15-16H2,1-2H3
- InChI Key
- KSJMZFMLNIMBJJ-UHFFFAOYSA-N
- Formula
- C19H30O3
- SMILES
- CCCCCCCCOC(=O)c1ccc(OCCCC)cc1
- Molecular Weight1
- 306.44
- 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 | 0.9575 | Relay (... Calculated Property | |
| ΔfG° | -127.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -6.07 | Relay (... Calculated Property | |
| logPoct/wat | 5.383 | Crippen Calculated Property | |
| McVol | 268.120 | ml/mol | McGowan Calculated Property |
| Pc | 1374.80 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2554.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2547.00 | NIST | |
| Inp | 2547.00 | NIST | |
| Inp | 2554.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 628.92 | K | Relay (... Calculated Property |
| Tc | 815.66 | K | Relay (... Calculated Property |
| Tfus | 291.82 | K | Relay (... Calculated Property |
| Vc | 1.019 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.09; 888.35] | J/mol×K | [764.49; 956.45] |
|
| Cp,gas | 798.09 | J/mol×K | 764.49 | Joback Calculated Property |
| Cp,gas | 815.64 | J/mol×K | 796.48 | Joback Calculated Property |
| Cp,gas | 832.16 | J/mol×K | 828.48 | Joback Calculated Property |
| Cp,gas | 847.67 | J/mol×K | 860.47 | Joback Calculated Property |
| Cp,gas | 862.20 | J/mol×K | 892.46 | Joback Calculated Property |
| Cp,gas | 875.75 | J/mol×K | 924.45 | Joback Calculated Property |
| Cp,gas | 888.35 | J/mol×K | 956.45 | Joback Calculated Property |
| η | [0.0000646; 0.0008021] | Pa×s | [437.22; 764.49] |
|
| η | 0.0008021 | Pa×s | 437.22 | Joback Calculated Property |
| η | 0.0004177 | Pa×s | 491.76 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 546.31 | Joback Calculated Property |
| η | 0.0001616 | Pa×s | 600.86 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 655.40 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 709.94 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 764.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octyl p-butoxybenzoate.
Sources
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