- InChI
- InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
- InChI Key
- MQIUGAXCHLFZKX-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCC
CCCCCC - Molecular Weight1
- 390.56
- CAS
- 117-84-0
- Other Names
-
- 1,2-BENZENEDICARBOXYLIC ACID
- 1,2-Benzenedicarbonic acid, dioctyl ester
- 1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester
- 1,2-Benzenedicarboxylic acid, dioctyl ester
- Celluflex dop
- DICAPRYL PHTHALATE
- DIOCTYL ESTER
- DNOP
- Dinopol NOP
- Dioctyl 1,2-benzenedicarboxylate
- Dioctyl o-benzenedicarboxylate
- Dioctyl o-phthalate
- Dioctyl phthalate
- Dioktylester kyseliny ftalove
- N-OCTYL PHTHALATE
- NSC 15318
- Octyl phthalate
- PX-138
- Phthalic acid, dioctyl ester
- Polycizer 162
- Rcra waste number U107
- Vinicizer 85
- Vinycizer 85
- o-Benzenedicarboxylic acid, dioctyl ester
- ω : Acentric Factor.
- 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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 |
|---|---|---|---|
| ω | 1.1558 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.12; -5.11] |
|
|
| log10WS | -5.11 | Aq. Solubility Prediction | |
| log10WS | -5.12 | Estimated Solubility | |
| logPoct/wat | 6.721 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| Pc | 1080.00 | kPa | Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method |
| Inp | [420.40; 2741.00] |
|
|
| Inp | 420.40 | NIST | |
| Inp | 2682.00 | NIST | |
| Inp | 2741.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Inp | 2687.00 | NIST | |
| Tboil | 660.10 | K | Relay (1.0) Calculated Property |
| Tc | 860.89 | K | Relay (1.0) Calculated Property |
| Tfus | 255.82 | K | Aq. Solubility Prediction |
| Vc | 1.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1119.44; 1201.88] | J/mol×K | [932.76; 1142.45] |
|
| Cp,gas | 1119.44 | J/mol×K | 932.76 | Joback Calculated Property |
| Cp,gas | 1136.46 | J/mol×K | 967.71 | Joback Calculated Property |
| Cp,gas | 1152.13 | J/mol×K | 1002.66 | Joback Calculated Property |
| Cp,gas | 1166.46 | J/mol×K | 1037.60 | Joback Calculated Property |
| Cp,gas | 1179.51 | J/mol×K | 1072.55 | Joback Calculated Property |
| Cp,gas | 1191.30 | J/mol×K | 1107.50 | Joback Calculated Property |
| Cp,gas | 1201.88 | J/mol×K | 1142.45 | Joback Calculated Property |
| η | [0.0000308; 0.0003848] | Pa×s | [543.50; 932.76] |
|
| η | 0.0003848 | Pa×s | 543.50 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 608.38 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 673.25 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 738.13 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 803.01 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 867.88 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 932.76 | Joback Calculated Property |
| ΔvapH | 122.70 | kJ/mol | 298.00 | A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure |
| n0 | [1.48100; 1.48500] | [298.15; 308.15] |
|
|
| n0 | 1.48500 | 298.15 | Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K | |
| n0 | 1.48310 | 303.15 | Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K | |
| n0 | 1.48100 | 308.15 | Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [508.80; 761.92] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.29723e+01 | |||
| Coefficient B | -4.89620e+03 | |||
| Coefficient C | -1.22804e+02 | |||
| Temperature range, min. | 508.80 | |||
| Temperature range, max. | 761.92 | |||
| Pvap | 1.33 | kPa | 508.80 | Calculated Property |
| Pvap | 3.16 | kPa | 536.92 | Calculated Property |
| Pvap | 6.69 | kPa | 565.05 | Calculated Property |
| Pvap | 12.98 | kPa | 593.17 | Calculated Property |
| Pvap | 23.34 | kPa | 621.30 | Calculated Property |
| Pvap | 39.44 | kPa | 649.42 | Calculated Property |
| Pvap | 63.20 | kPa | 677.55 | Calculated Property |
| Pvap | 96.75 | kPa | 705.67 | Calculated Property |
| Pvap | 142.42 | kPa | 733.80 | Calculated Property |
| Pvap | 202.64 | kPa | 761.92 | Calculated Property |
| Pvap | [4.11e-03; 0.92] | kPa | [423.15; 523.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.27880e+01 | |||
| Coefficient B | -1.19674e+04 | |||
| Coefficient C | 1.07854e-04 | |||
| Coefficient D | -9.54457e-11 | |||
| Temperature range, min. | 423.15 | |||
| Temperature range, max. | 523.15 | |||
| Pvap | 4.11e-03 | kPa | 423.15 | Calculated Property |
| Pvap | 8.48e-03 | kPa | 434.26 | Calculated Property |
| Pvap | 0.02 | kPa | 445.37 | Calculated Property |
| Pvap | 0.03 | kPa | 456.48 | Calculated Property |
| Pvap | 0.06 | kPa | 467.59 | Calculated Property |
| Pvap | 0.11 | kPa | 478.71 | Calculated Property |
| Pvap | 0.19 | kPa | 489.82 | Calculated Property |
| Pvap | 0.33 | kPa | 500.93 | Calculated Property |
| Pvap | 0.56 | kPa | 512.04 | Calculated Property |
| Pvap | 0.92 | kPa | 523.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Di-n-octyl phthalate.
Mixtures
- 1,4-Dioxane + Di-n-octyl phthalate
- Furfural + Water + Di-n-octyl phthalate
- Pentanoic acid, 4-oxo- + Water + Di-n-octyl phthalate
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
- Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
- Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K
- Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.