- InChI
- InChI=1S/C16H24O2/c1-13(2)12-14(3)18-16(17)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3
- InChI Key
- UBZQGOAHCCGUHQ-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CC(C)CC(C)OC(=O)CCCc1ccccc1
- Molecular Weight1
- 248.36
- 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 | 0.6598 | Relay (... Calculated Property | |
| ΔfG° | -42.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -4.20 | Relay (... Calculated Property | |
| logPoct/wat | 3.987 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Inp | [1780.00; 1780.00] |
|
|
| Inp | 1780.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Tboil | 564.13 | K | Relay (... Calculated Property |
| Tc | 766.86 | K | Relay (... Calculated Property |
| Tfus | 255.11 | K | Relay (... Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.91; 692.85] | J/mol×K | [667.57; 869.62] |
|
| Cp,gas | 600.91 | J/mol×K | 667.57 | Joback Calculated Property |
| Cp,gas | 618.73 | J/mol×K | 701.25 | Joback Calculated Property |
| Cp,gas | 635.52 | J/mol×K | 734.92 | Joback Calculated Property |
| Cp,gas | 651.29 | J/mol×K | 768.60 | Joback Calculated Property |
| Cp,gas | 666.08 | J/mol×K | 802.27 | Joback Calculated Property |
| Cp,gas | 679.92 | J/mol×K | 835.95 | Joback Calculated Property |
| Cp,gas | 692.85 | J/mol×K | 869.62 | Joback Calculated Property |
| η | [0.0001048; 0.0029518] | Pa×s | [338.66; 667.57] |
|
| η | 0.0029518 | Pa×s | 338.66 | Joback Calculated Property |
| η | 0.0011486 | Pa×s | 393.48 | Joback Calculated Property |
| η | 0.0005630 | Pa×s | 448.30 | Joback Calculated Property |
| η | 0.0003224 | Pa×s | 503.12 | Joback Calculated Property |
| η | 0.0002059 | Pa×s | 557.93 | Joback Calculated Property |
| η | 0.0001426 | Pa×s | 612.75 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 667.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, 4-methyl-2-pentyl ester.
Sources
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