- InChI
- InChI=1S/C18H20O3/c1-18(2,3)17(19)21-16-11-9-15(10-12-16)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
- InChI Key
- YOCHWZIIVKJIAX-UHFFFAOYSA-N
- Formula
- C18H20O3
- SMILES
-
CC(C)(C)C(=O)Oc1ccc(OCc2ccccc2
)cc1 - Molecular Weight1
- 284.35
- 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 | 0.7093 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.217 | Crippen Calculated Property | |
| McVol | 230.270 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | [2143.00; 2143.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Tboil | 620.55 | K | Relay (1.0) Calculated Property |
| Tc | 864.30 | K | Relay (1.0) Calculated Property |
| Tfus | 346.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.47; 735.19] | J/mol×K | [765.06; 999.30] |
|
| Cp,gas | 655.47 | J/mol×K | 765.06 | Joback Calculated Property |
| Cp,gas | 671.91 | J/mol×K | 804.10 | Joback Calculated Property |
| Cp,gas | 687.00 | J/mol×K | 843.14 | Joback Calculated Property |
| Cp,gas | 700.81 | J/mol×K | 882.18 | Joback Calculated Property |
| Cp,gas | 713.40 | J/mol×K | 921.22 | Joback Calculated Property |
| Cp,gas | 724.83 | J/mol×K | 960.26 | Joback Calculated Property |
| Cp,gas | 735.19 | J/mol×K | 999.30 | Joback Calculated Property |
| η | [0.0000608; 0.0007073] | Pa×s | [454.79; 765.06] |
|
| η | 0.0007073 | Pa×s | 454.79 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 506.50 | Joback Calculated Property |
| η | 0.0002305 | Pa×s | 558.21 | Joback Calculated Property |
| η | 0.0001518 | Pa×s | 609.92 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 661.64 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 713.35 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 765.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, 4-benzyloxyphenyl ester.
Sources
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