- 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
- DIOCTYL ESTER
- DNOP
- Dicapryl phthalate
- Dinopol NOP
- Dioctyl o-benzenedicarboxylate
- Dioctyl o-phthalate
- Dioktylester kyseliny ftalove
- NSC 15318
- Octyl phthalate
- PX-138
- Polycizer 162
- Rcra waste number U107
- Vinicizer 85
- Vinycizer 85
- dioctyl 1,2-benzenedicarboxylate
- dioctyl phthalate
- n-Octyl phthalate
- o-Benzenedicarboxylic acid, dioctyl ester
- phthalic acid, dioctyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 | |
| ΔcH°liquid | -13839.00 | kJ/mol | NIST |
| ΔfH°gas | -902.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.86 | 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 | [416.10; 2741.00] |
|
|
| Inp | 420.40 | NIST | |
| Inp | 2682.00 | NIST | |
| Inp | 2685.00 | NIST | |
| Inp | 2687.00 | NIST | |
| Inp | 2741.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Inp | 420.40 | NIST | |
| Inp | 416.10 | NIST | |
| Inp | 2682.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Inp | 2741.00 | NIST | |
| Inp | 2687.00 | NIST | |
| S°solid,1 bar | 755.20 | J/mol×K | NIST |
| Tboil | 659.00 ± 5.00 | K | NIST |
| Tc | 862.34 | K | Relay (1.0) Calculated Property |
| Tfus | 255.82 | K | Aq. Solubility Prediction |
| Vc | 1.294 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.11; 1186.86] | J/mol×K | [896.82; 1099.35] |
|
| Cp,gas | 1104.11 | J/mol×K | 896.82 | Joback Calculated Property |
| Cp,gas | 1121.24 | J/mol×K | 930.57 | Joback Calculated Property |
| Cp,gas | 1136.99 | J/mol×K | 964.33 | Joback Calculated Property |
| Cp,gas | 1151.39 | J/mol×K | 998.08 | Joback Calculated Property |
| Cp,gas | 1164.47 | J/mol×K | 1031.84 | Joback Calculated Property |
| Cp,gas | 1176.28 | J/mol×K | 1065.59 | Joback Calculated Property |
| Cp,gas | 1186.86 | J/mol×K | 1099.35 | Joback Calculated Property |
| Cp,solid | 707.10 | J/mol×K | 300.00 | NIST |
| η | [0.0000235; 0.0005597] | Pa×s | [483.84; 896.82] |
|
| η | 0.0005597 | Pa×s | 483.84 | Joback Calculated Property |
| η | 0.0002374 | Pa×s | 552.67 | Joback Calculated Property |
| η | 0.0001218 | Pa×s | 621.50 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 690.33 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 759.16 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 827.99 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 896.82 | Joback Calculated Property |
| ΔvapH | [99.50; 122.70] | kJ/mol | [298.00; 473.00] |
|
| 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 |
| ΔvapH | 107.60 | kJ/mol | 408.00 | NIST |
| ΔvapH | 99.50 | kJ/mol | 473.00 | NIST |
| 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
- Furfural + Water + Di-n-octyl phthalate
- Pentanoic acid, 4-oxo- + Water + Di-n-octyl phthalate
- 1,4-Dioxane + 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
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