- InChI
- InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
- InChI Key
- KCXZNSGUUQJJTR-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCCCC
CC - Molecular Weight1
- 334.45
- CAS
- 84-75-3
- Other Names
-
- Dihexyl phthalate
- Dihexylester kyseliny ftalove
- Phthalic acid, dihexyl ester
- di-n-Hexyl phthalate
- dihexyl benzene-1,2-dicarboxylate
- 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).
- 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).
- 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 | 1.0110 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | [-6.14; -5.94] |
|
|
| log10WS | -5.94 | Aq. Solubility Prediction | |
| log10WS | -6.14 | Estimated Solubility | |
| logPoct/wat | 5.161 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1340.00 | kPa | Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method |
| Inp | [2281.00; 2308.00] |
|
|
| Inp | 2305.00 | NIST | |
| Inp | 2308.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Tboil | 631.70 | K | Relay (1.0) Calculated Property |
| Tc | 832.30 | K | Relay (1.0) Calculated Property |
| Tfus | 259.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.073 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.72; 958.03] | J/mol×K | [841.24; 1041.25] |
|
| Cp,gas | 877.72 | J/mol×K | 841.24 | Joback Calculated Property |
| Cp,gas | 893.85 | J/mol×K | 874.57 | Joback Calculated Property |
| Cp,gas | 908.85 | J/mol×K | 907.91 | Joback Calculated Property |
| Cp,gas | 922.75 | J/mol×K | 941.24 | Joback Calculated Property |
| Cp,gas | 935.56 | J/mol×K | 974.58 | Joback Calculated Property |
| Cp,gas | 947.32 | J/mol×K | 1007.91 | Joback Calculated Property |
| Cp,gas | 958.03 | J/mol×K | 1041.25 | Joback Calculated Property |
| η | [0.0000548; 0.0005930] | Pa×s | [498.42; 841.24] |
|
| η | 0.0005930 | Pa×s | 498.42 | Joback Calculated Property |
| η | 0.0003251 | Pa×s | 555.56 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 612.69 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 669.83 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 726.97 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 784.10 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 841.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, dihexyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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