- InChI
- InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
- InChI Key
- IJFPVINAQGWBRJ-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CC(C)CCCCCOC(=O)c1ccccc1C(=O)O
CCCCCC(C)C - Molecular Weight1
- 390.56
- CAS
- 131-20-4
- Other Names
-
- 27554-26-3
- Bis(6-methylheptyl) phthalate
- Diisooctyl phthalate
- Phthalic acid, bis(6-methylheptyl) ester
- 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).
- 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° | -218.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.49 | kJ/mol | Joback Calculated Property |
| log10WS | [-6.64; -6.64] |
|
|
| log10WS | -6.64 | Aq. Sol... | |
| log10WS | -6.64 | Estimat... | |
| logPoct/wat | 6.433 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| Pc | 1041.93 | kPa | Joback Calculated Property |
| Inp | [2525.00; 2545.00] |
|
|
| Inp | 2545.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Inp | 2525.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Inp | 2545.00 | NIST | |
| Tboil | 931.88 | K | Joback Calculated Property |
| Tc | 1142.43 | K | Joback Calculated Property |
| Tfus | 513.50 | K | Joback Calculated Property |
| Vc | 1.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1120.29; 1202.19] | J/mol×K | [931.88; 1142.43] |
|
| Cp,gas | 1120.29 | J/mol×K | 931.88 | Joback Calculated Property |
| Cp,gas | 1137.32 | J/mol×K | 966.97 | Joback Calculated Property |
| Cp,gas | 1152.94 | J/mol×K | 1002.06 | Joback Calculated Property |
| Cp,gas | 1167.20 | J/mol×K | 1037.16 | Joback Calculated Property |
| Cp,gas | 1180.14 | J/mol×K | 1072.25 | Joback Calculated Property |
| Cp,gas | 1191.79 | J/mol×K | 1107.34 | Joback Calculated Property |
| Cp,gas | 1202.19 | J/mol×K | 1142.43 | Joback Calculated Property |
| η | [0.0000256; 0.0004856] | Pa×s | [513.50; 931.88] |
|
| η | 0.0004856 | Pa×s | 513.50 | Joback Calculated Property |
| η | 0.0002219 | Pa×s | 583.23 | Joback Calculated Property |
| η | 0.0001198 | Pa×s | 652.96 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 722.69 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 792.42 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 862.15 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 931.88 | Joback Calculated Property |
| ΔvapH | 92.40 | kJ/mol | 436.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [535.57; 750.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52850e+01 | |||
| Coefficient B | -6.40227e+03 | |||
| Coefficient C | -1.08683e+02 | |||
| Temperature range, min. | 535.57 | |||
| Temperature range, max. | 750.61 | |||
| Pvap | 1.33 | kPa | 535.57 | Calculated Property |
| Pvap | 2.95 | kPa | 559.46 | Calculated Property |
| Pvap | 6.03 | kPa | 583.36 | Calculated Property |
| Pvap | 11.52 | kPa | 607.25 | Calculated Property |
| Pvap | 20.72 | kPa | 631.14 | Calculated Property |
| Pvap | 35.41 | kPa | 655.04 | Calculated Property |
| Pvap | 57.85 | kPa | 678.93 | Calculated Property |
| Pvap | 90.86 | kPa | 702.82 | Calculated Property |
| Pvap | 137.82 | kPa | 726.72 | Calculated Property |
| Pvap | 202.66 | kPa | 750.61 | Calculated Property |
| Pvap | [1.97e-12; 1129.25] | kPa | [260.00; 851.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.53737e+02 | |||
| Coefficient B | -2.01401e+04 | |||
| Coefficient C | -1.86055e+01 | |||
| Coefficient D | 3.42367e-06 | |||
| Temperature range, min. | 260.00 | |||
| Temperature range, max. | 851.00 | |||
| Pvap | 1.97e-12 | kPa | 260.00 | Calculated Property |
| Pvap | 2.07e-07 | kPa | 325.67 | Calculated Property |
| Pvap | 2.56e-04 | kPa | 391.33 | Calculated Property |
| Pvap | 0.03 | kPa | 457.00 | Calculated Property |
| Pvap | 0.73 | kPa | 522.67 | Calculated Property |
| Pvap | 7.66 | kPa | 588.33 | Calculated Property |
| Pvap | 44.00 | kPa | 654.00 | Calculated Property |
| Pvap | 167.82 | kPa | 719.67 | Calculated Property |
| Pvap | 481.36 | kPa | 785.33 | Calculated Property |
| Pvap | 1129.25 | kPa | 851.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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