- InChI
- InChI=1S/C15H22O3/c1-11(2)9-17-14-7-5-13(6-8-14)15(16)18-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
- InChI Key
- MWOWMMWSTWPZIJ-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CC(C)COC(=O)c1ccc(OCC(C)C)cc1
- Molecular Weight1
- 250.33
- 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 | 0.7397 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.534 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1895.30 | kPa | Joback Calculated Property |
| Inp | 1848.00 | NIST | |
| Tboil | 592.37 | K | Relay (1.0) Calculated Property |
| Tc | 766.89 | K | Relay (1.0) Calculated Property |
| Tfus | 309.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.95; 661.98] | J/mol×K | [672.09; 875.92] | 
|
| Cp,gas | 574.95 | J/mol×K | 672.09 | Joback Calculated Property |
| Cp,gas | 591.84 | J/mol×K | 706.06 | Joback Calculated Property |
| Cp,gas | 607.76 | J/mol×K | 740.03 | Joback Calculated Property |
| Cp,gas | 622.73 | J/mol×K | 774.00 | Joback Calculated Property |
| Cp,gas | 636.74 | J/mol×K | 807.97 | Joback Calculated Property |
| Cp,gas | 649.82 | J/mol×K | 841.94 | Joback Calculated Property |
| Cp,gas | 661.98 | J/mol×K | 875.92 | Joback Calculated Property |
| η | [0.0000909; 0.0016383] | Pa×s | [362.14; 672.09] |
|
| η | 0.0016383 | Pa×s | 362.14 | Joback Calculated Property |
| η | 0.0007488 | Pa×s | 413.80 | Joback Calculated Property |
| η | 0.0004072 | Pa×s | 465.46 | Joback Calculated Property |
| η | 0.0002501 | Pa×s | 517.12 | Joback Calculated Property |
| η | 0.0001679 | Pa×s | 568.77 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 620.43 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 672.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(2-methylpropyl)oxy-, 2-methylpropyl ester.
Sources
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