- InChI
- InChI=1S/C18H28O3/c1-3-5-7-8-9-15-21-18(19)16-10-12-17(13-11-16)20-14-6-4-2/h10-13H,3-9,14-15H2,1-2H3
- InChI Key
- ZJFJSQWZGMNYMD-UHFFFAOYSA-N
- Formula
- C18H28O3
- SMILES
- CCCCCCCOC(=O)c1ccc(OCCCC)cc1
- Molecular Weight1
- 292.41
- 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 | 0.9203 | Relay (... Calculated Property | |
| ΔfG° | -135.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.45 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -5.77 | Relay (... Calculated Property | |
| logPoct/wat | 4.993 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1478.15 | kPa | Joback Calculated Property |
| Inp | [2430.00; 2455.00] |
|
|
| Inp | 2430.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Inp | 2446.00 | NIST | |
| Inp | 2455.00 | NIST | |
| Inp | 2430.00 | NIST | |
| Tboil | 621.78 | K | Relay (... Calculated Property |
| Tc | 806.98 | K | Relay (... Calculated Property |
| Tfus | 288.10 | K | Relay (... Calculated Property |
| Vc | 0.964 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.43; 829.58] | J/mol×K | [741.61; 934.08] |
|
| Cp,gas | 740.43 | J/mol×K | 741.61 | Joback Calculated Property |
| Cp,gas | 757.71 | J/mol×K | 773.69 | Joback Calculated Property |
| Cp,gas | 774.00 | J/mol×K | 805.77 | Joback Calculated Property |
| Cp,gas | 789.31 | J/mol×K | 837.85 | Joback Calculated Property |
| Cp,gas | 803.67 | J/mol×K | 869.93 | Joback Calculated Property |
| Cp,gas | 817.09 | J/mol×K | 902.00 | Joback Calculated Property |
| Cp,gas | 829.58 | J/mol×K | 934.08 | Joback Calculated Property |
| η | [0.0000735; 0.0008747] | Pa×s | [425.95; 741.61] |
|
| η | 0.0008747 | Pa×s | 425.95 | Joback Calculated Property |
| η | 0.0004615 | Pa×s | 478.56 | Joback Calculated Property |
| η | 0.0002763 | Pa×s | 531.17 | Joback Calculated Property |
| η | 0.0001815 | Pa×s | 583.78 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 636.39 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 689.00 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 741.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl p-butoxybenzoate.
Sources
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