- InChI
- InChI=1S/C15H20O4/c1-10(2)9-11(3)19-15(17)13-8-6-5-7-12(13)14(16)18-4/h5-8,10-11H,9H2,1-4H3
- InChI Key
- GOVKOEBZVBFPRE-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
-
COC(=O)c1ccccc1C(=O)OC(C)CC(C)
C - Molecular Weight1
- 264.32
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 4-methylpentan-2-yl methyl ester
- 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 | 0.7127 | Relay (1.0) Calculated Property | |
| ΔfG° | -294.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.065 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | 1803.00 | NIST | |
| Tboil | 578.17 | K | Relay (1.0) Calculated Property |
| Tc | 777.70 | K | Relay (1.0) Calculated Property |
| Tfus | 269.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.71; 671.43] | J/mol×K | [725.96; 936.20] | 
|
| Cp,gas | 594.71 | J/mol×K | 725.96 | Joback Calculated Property |
| Cp,gas | 610.01 | J/mol×K | 761.00 | Joback Calculated Property |
| Cp,gas | 624.28 | J/mol×K | 796.04 | Joback Calculated Property |
| Cp,gas | 637.56 | J/mol×K | 831.08 | Joback Calculated Property |
| Cp,gas | 649.83 | J/mol×K | 866.12 | Joback Calculated Property |
| Cp,gas | 661.12 | J/mol×K | 901.16 | Joback Calculated Property |
| Cp,gas | 671.43 | J/mol×K | 936.20 | Joback Calculated Property |
| η | [0.0000901; 0.0012644] | Pa×s | [412.07; 725.96] |
|
| η | 0.0012644 | Pa×s | 412.07 | Joback Calculated Property |
| η | 0.0006354 | Pa×s | 464.39 | Joback Calculated Property |
| η | 0.0003670 | Pa×s | 516.70 | Joback Calculated Property |
| η | 0.0002345 | Pa×s | 569.02 | Joback Calculated Property |
| η | 0.0001616 | Pa×s | 621.33 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 673.64 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 725.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4-methylpentan-2-yl phthalate.
Sources
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