- InChI
- InChI=1S/C14H10O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h1-2,5-8H,9-10H2
- InChI Key
- NQXDCRARZBUWHX-UHFFFAOYSA-N
- Formula
- C14H10O4
- SMILES
- C#CCOC(=O)c1ccccc1C(=O)OCC#C
- Molecular Weight1
- 242.23
- Other Names
-
- 1,2-Benzenedicarboxylic acid, diprop-2-ynyl ester
- Diprop-2-ynyl-1,2-benzenedicarboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 148.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 1.267 | Crippen Calculated Property | |
| McVol | 182.040 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1793.00; 1793.00] |
|
|
| Inp | 1793.00 | NIST | |
| Inp | 1793.00 | NIST | |
| Tboil | 684.20 | K | Joback Calculated Property |
| Tc | 915.99 | K | Joback Calculated Property |
| Tfus | 524.74 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.92; 505.24] | J/mol×K | [684.20; 915.99] |
|
| Cp,gas | 445.92 | J/mol×K | 684.20 | Joback Calculated Property |
| Cp,gas | 457.92 | J/mol×K | 722.83 | Joback Calculated Property |
| Cp,gas | 469.05 | J/mol×K | 761.46 | Joback Calculated Property |
| Cp,gas | 479.32 | J/mol×K | 800.09 | Joback Calculated Property |
| Cp,gas | 488.76 | J/mol×K | 838.73 | Joback Calculated Property |
| Cp,gas | 497.40 | J/mol×K | 877.36 | Joback Calculated Property |
| Cp,gas | 505.24 | J/mol×K | 915.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diprop-2-ynyl phthalate.
Sources
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