- InChI
- InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
- InChI Key
- MQHNKCZKNAJROC-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCCOC(=O)c1ccccc1C(=O)OCCC
- Molecular Weight1
- 250.29
- CAS
- 131-16-8
- Other Names
-
- 1,2-benzenedicarboxylic acid dipropyl ester
- DI-N-PROPYL PHTHALATE
- Dipropyl phthalate
- Phthalic acid di-n-propyl ester
- Phthalic acid, dipropyl ester
- dipropyl benzene-1,2-dicarboxylate
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -298.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Aq. Sol... | |
| logPoct/wat | 2.820 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 1900.00 | kPa | Critica... |
| Inp | [1733.62; 1760.00] |
|
|
| Inp | 1756.00 | NIST | |
| Inp | 1756.00 | NIST | |
| Inp | 1758.00 | NIST | |
| Inp | 1760.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Inp | 1735.27 | NIST | |
| Inp | 1735.23 | NIST | |
| Inp | 1733.62 | NIST | |
| Inp | 1743.56 | NIST | |
| Inp | 1745.58 | NIST | |
| Inp | 1742.96 | NIST | |
| Inp | 1735.96 | NIST | |
| Inp | 1758.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1735.27 | NIST | |
| Inp | 1742.96 | NIST | |
| Inp | 1743.00 | NIST | |
| Tboil | [577.70; 590.70] | K |
|
| Tboil | 590.70 | K | NIST |
| Tboil | 577.70 | K | NIST |
| Tc | 909.90 | K | Joback Calculated Property |
| Tfus | 430.80 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.98; 612.97] | J/mol×K | [703.96; 909.90] |
|
| Cp,gas | 539.98 | J/mol×K | 703.96 | Joback Calculated Property |
| Cp,gas | 554.36 | J/mol×K | 738.28 | Joback Calculated Property |
| Cp,gas | 567.84 | J/mol×K | 772.61 | Joback Calculated Property |
| Cp,gas | 580.44 | J/mol×K | 806.93 | Joback Calculated Property |
| Cp,gas | 592.16 | J/mol×K | 841.25 | Joback Calculated Property |
| Cp,gas | 603.00 | J/mol×K | 875.58 | Joback Calculated Property |
| Cp,gas | 612.97 | J/mol×K | 909.90 | Joback Calculated Property |
| η | [0.0001192; 0.0009874] | Pa×s | [430.80; 703.96] |
|
| η | 0.0009874 | Pa×s | 430.80 | Joback Calculated Property |
| η | 0.0005866 | Pa×s | 476.33 | Joback Calculated Property |
| η | 0.0003816 | Pa×s | 521.85 | Joback Calculated Property |
| η | 0.0002660 | Pa×s | 567.38 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 612.91 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 658.43 | Joback Calculated Property |
| η | 0.0001192 | Pa×s | 703.96 | Joback Calculated Property |
| ΔvapH | 73.20 | kJ/mol | 490.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 442.00 ± 1.00 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 20.67] | kPa | [403.15; 523.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.98607e+01 | |||
| Coefficient B | -8.80513e+03 | |||
| Coefficient C | -1.38970e-04 | |||
| Coefficient D | 1.22195e-10 | |||
| Temperature range, min. | 403.15 | |||
| Temperature range, max. | 523.15 | |||
| Pvap | 0.14 | kPa | 403.15 | Calculated Property |
| Pvap | 0.28 | kPa | 416.48 | Calculated Property |
| Pvap | 0.53 | kPa | 429.82 | Calculated Property |
| Pvap | 0.99 | kPa | 443.15 | Calculated Property |
| Pvap | 1.77 | kPa | 456.48 | Calculated Property |
| Pvap | 3.06 | kPa | 469.82 | Calculated Property |
| Pvap | 5.13 | kPa | 483.15 | Calculated Property |
| Pvap | 8.37 | kPa | 496.48 | Calculated Property |
| Pvap | 13.31 | kPa | 509.82 | Calculated Property |
| Pvap | 20.67 | kPa | 523.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, dipropyl ester.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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