- InChI
- InChI=1S/C18H20O2/c1-3-9-14(2)18(19)20-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h4-8,10-14H,3,9H2,1-2H3
- InChI Key
- BHZVELAKMDGMRN-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
- CCCC(C)C(=O)Oc1ccccc1-c1ccccc1
- Molecular Weight1
- 268.35
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 79.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 4.695 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Inp | 1954.00 | NIST | |
| Tboil | 745.43 | K | Joback Calculated Property |
| Tc | 974.99 | K | Joback Calculated Property |
| Tfus | 415.14 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.40; 709.30] | J/mol×K | [745.43; 974.99] | 
|
| Cp,gas | 626.40 | J/mol×K | 745.43 | Joback Calculated Property |
| Cp,gas | 643.23 | J/mol×K | 783.69 | Joback Calculated Property |
| Cp,gas | 658.78 | J/mol×K | 821.95 | Joback Calculated Property |
| Cp,gas | 673.11 | J/mol×K | 860.21 | Joback Calculated Property |
| Cp,gas | 686.27 | J/mol×K | 898.47 | Joback Calculated Property |
| Cp,gas | 698.31 | J/mol×K | 936.73 | Joback Calculated Property |
| Cp,gas | 709.30 | J/mol×K | 974.99 | Joback Calculated Property |
| η | [0.0000895; 0.0011940] | Pa×s | [415.14; 745.43] |
|
| η | 0.0011940 | Pa×s | 415.14 | Joback Calculated Property |
| η | 0.0006022 | Pa×s | 470.19 | Joback Calculated Property |
| η | 0.0003506 | Pa×s | 525.24 | Joback Calculated Property |
| η | 0.0002262 | Pa×s | 580.28 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 635.33 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 690.38 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 745.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpentanoic acid, 2-biphenyl ester.
Sources
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