- InChI
- InChI=1S/C19H20O4/c1-3-12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3
- InChI Key
- BYPMUUNQMAUCEL-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)OCc1cccc
c1C - Molecular Weight1
- 312.36
- 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 | 0.8254 | Relay (1.0) Calculated Property | |
| ΔfG° | -306.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [2312.00; 2312.00] |
|
|
| Inp | 2312.00 | NIST | |
| Inp | 2312.00 | NIST | |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 892.19 | K | Relay (1.0) Calculated Property |
| Tfus | 293.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.85; 780.60] | J/mol×K | [814.08; 1037.17] |
|
| Cp,gas | 713.85 | J/mol×K | 814.08 | Joback Calculated Property |
| Cp,gas | 728.25 | J/mol×K | 851.26 | Joback Calculated Property |
| Cp,gas | 741.29 | J/mol×K | 888.44 | Joback Calculated Property |
| Cp,gas | 753.02 | J/mol×K | 925.62 | Joback Calculated Property |
| Cp,gas | 763.46 | J/mol×K | 962.80 | Joback Calculated Property |
| Cp,gas | 772.64 | J/mol×K | 999.98 | Joback Calculated Property |
| Cp,gas | 780.60 | J/mol×K | 1037.17 | Joback Calculated Property |
| η | [0.0000502; 0.0006775] | Pa×s | [466.43; 814.08] |
|
| η | 0.0006775 | Pa×s | 466.43 | Joback Calculated Property |
| η | 0.0003455 | Pa×s | 524.37 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 582.31 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 640.25 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 698.20 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 756.14 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 814.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-methylbenzyl propyl ester.
Sources
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