- InChI
- InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
- InChI Key
- QWDBCIAVABMJPP-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
- Molecular Weight1
- 250.29
- CAS
- 605-45-8
- Other Names
-
- Phthalic acid, diisopropyl ester
- Diisopropyl phthalate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -302.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 2.817 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| Inp | [295.40; 1641.00] |
|
|
| Inp | 1641.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 295.40 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 295.40 | NIST | |
| Tboil | 703.08 | K | Joback Calculated Property |
| Tc | 916.20 | K | Joback Calculated Property |
| Tfus | 400.80 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.05; 616.05] | J/mol×K | [703.08; 916.20] |
|
| Cp,gas | 541.05 | J/mol×K | 703.08 | Joback Calculated Property |
| Cp,gas | 555.97 | J/mol×K | 738.60 | Joback Calculated Property |
| Cp,gas | 569.92 | J/mol×K | 774.12 | Joback Calculated Property |
| Cp,gas | 582.89 | J/mol×K | 809.64 | Joback Calculated Property |
| Cp,gas | 594.90 | J/mol×K | 845.16 | Joback Calculated Property |
| Cp,gas | 605.95 | J/mol×K | 880.68 | Joback Calculated Property |
| Cp,gas | 616.05 | J/mol×K | 916.20 | Joback Calculated Property |
| η | [0.0001019; 0.0013715] | Pa×s | [400.80; 703.08] |
|
| η | 0.0013715 | Pa×s | 400.80 | Joback Calculated Property |
| η | 0.0006983 | Pa×s | 451.18 | Joback Calculated Property |
| η | 0.0004071 | Pa×s | 501.56 | Joback Calculated Property |
| η | 0.0002620 | Pa×s | 551.94 | Joback Calculated Property |
| η | 0.0001815 | Pa×s | 602.32 | Joback Calculated Property |
| η | 0.0001330 | Pa×s | 652.70 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 703.08 | Joback Calculated Property |
| ΔvapH | 74.80 | kJ/mol | 430.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester.
Sources
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