- InChI
- InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
- InChI Key
- GOPWOUQJIMLDDM-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCCOC(=O)c1cccc(C(=O)OCCCC)c1
- Molecular Weight1
- 278.34
- CAS
- 3126-90-7
- Other Names
-
- 1,3-Benzenedicarboxylic acid, dibutyl ester
- Isophthalic acid, dibutyl 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).
- 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 | 0.8667 | Relay (1.0) Calculated Property | |
| ΔfG° | -281.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.600 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [1996.00; 2030.00] |
|
|
| Inp | 1996.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | 1996.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 605.46 | K | Relay (1.0) Calculated Property |
| Tc | 795.19 | K | Relay (1.0) Calculated Property |
| Tfus | 275.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.859 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.45; 724.87] | J/mol×K | [749.72; 951.49] |
|
| Cp,gas | 648.45 | J/mol×K | 749.72 | Joback Calculated Property |
| Cp,gas | 663.58 | J/mol×K | 783.35 | Joback Calculated Property |
| Cp,gas | 677.73 | J/mol×K | 816.98 | Joback Calculated Property |
| Cp,gas | 690.92 | J/mol×K | 850.61 | Joback Calculated Property |
| Cp,gas | 703.17 | J/mol×K | 884.24 | Joback Calculated Property |
| Cp,gas | 714.48 | J/mol×K | 917.86 | Joback Calculated Property |
| Cp,gas | 724.87 | J/mol×K | 951.49 | Joback Calculated Property |
| η | [0.0000934; 0.0008522] | Pa×s | [453.34; 749.72] |
|
| η | 0.0008522 | Pa×s | 453.34 | Joback Calculated Property |
| η | 0.0004919 | Pa×s | 502.74 | Joback Calculated Property |
| η | 0.0003132 | Pa×s | 552.13 | Joback Calculated Property |
| η | 0.0002148 | Pa×s | 601.53 | Joback Calculated Property |
| η | 0.0001560 | Pa×s | 650.93 | Joback Calculated Property |
| η | 0.0001185 | Pa×s | 700.32 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 749.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibutyl isophthalate.
Sources
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