- InChI
- InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
- InChI Key
- QUDWYFHPNIMBFC-UHFFFAOYSA-N
- Formula
- C14H14O4
- SMILES
- C=CCOC(=O)c1ccccc1C(=O)OCC=C
- Molecular Weight1
- 246.26
- CAS
- 131-17-9
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester
- 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
- Allyl phthalate
- DAP monomer
- Dapon 35
- Dapon R
- Diallyl ester o-phthalic acid
- Diallyl ester of phthalic acid
- Diallylester kyseliny ftalove
- Diallylester phthalic acid
- NCI-C50657
- NSC 7667
- Phthalic acid, diallyl ester
- diprop-2-enyl benzene-1,2-dicarboxylate
- o-Phthalic acid, diallyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-6960.10; -6957.60] | kJ/mol |
|
| ΔcH°liquid | -6960.10 | kJ/mol | NIST |
| ΔcH°liquid | -6957.60 ± 7.10 | kJ/mol | NIST |
| ΔfH°gas | -503.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-552.40; -549.80] | kJ/mol |
|
| ΔfH°liquid | -549.80 | kJ/mol | NIST |
| ΔfH°liquid | -552.40 ± 7.10 | kJ/mol | NIST |
| ΔfusH° | 31.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.34 | Aq. Solubility Prediction | |
| logPoct/wat | 2.372 | Crippen Calculated Property | |
| McVol | 190.640 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [1692.00; 1718.00] |
|
|
| Inp | 1698.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | Outlier 1692.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Tboil | 602.71 | K | Relay (1.0) Calculated Property |
| Tfus | 266.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 439.20 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.83; 579.23] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.53920e+01 | |||
| Coefficient B | 1.04580e+00 | |||
| Coefficient C | -5.58560e-04 | |||
| Coefficient D | 7.66000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 260.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 318.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 370.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 416.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 456.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 491.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 520.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 544.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 564.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 579.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016221; 0.0001416] | Pa×s | [367.62; 609.30] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.25716e+01 | |||
| Coefficient B | 2.25996e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 367.62 | |||
| Temperature range, max. | 609.30 | |||
| η | 0.0016221 | Pa×s | 367.62 | Calculated Property |
| η | 0.0010674 | Pa×s | 394.47 | Calculated Property |
| η | 0.0007409 | Pa×s | 421.33 | Calculated Property |
| η | 0.0005372 | Pa×s | 448.18 | Calculated Property |
| η | 0.0004040 | Pa×s | 475.03 | Calculated Property |
| η | 0.0003132 | Pa×s | 501.89 | Calculated Property |
| η | 0.0002492 | Pa×s | 528.74 | Calculated Property |
| η | 0.0002027 | Pa×s | 555.60 | Calculated Property |
| η | 0.0001680 | Pa×s | 582.45 | Calculated Property |
| η | 0.0001416 | Pa×s | 609.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Diallyl phthalate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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