- InChI
- InChI=1S/C16H30O4/c1-3-5-13-19-15(17)11-9-7-8-10-12-16(18)20-14-6-4-2/h3-14H2,1-2H3
- InChI Key
- LBXQUCHUHCBNTC-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCCOC(=O)CCCCCCC(=O)OCCCC
- Molecular Weight1
- 286.41
- CAS
- 16090-77-0
- Other Names
-
- Suberic acid, dibutyl ester
- Dibutyl suberate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.9108 | Relay (1.0) Calculated Property | |
| ΔfG° | -384.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1411.18 | kPa | Joback Calculated Property |
| Inp | 1930.00 | NIST | |
| Tboil | 579.83 | K | Relay (1.0) Calculated Property |
| Tc | 741.39 | K | Relay (1.0) Calculated Property |
| Tfus | 252.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.978 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.60; 820.95] | J/mol×K | [718.06; 894.33] | 
|
| Cp,gas | 733.60 | J/mol×K | 718.06 | Joback Calculated Property |
| Cp,gas | 750.17 | J/mol×K | 747.44 | Joback Calculated Property |
| Cp,gas | 765.92 | J/mol×K | 776.82 | Joback Calculated Property |
| Cp,gas | 780.87 | J/mol×K | 806.19 | Joback Calculated Property |
| Cp,gas | 795.02 | J/mol×K | 835.57 | Joback Calculated Property |
| Cp,gas | 808.37 | J/mol×K | 864.95 | Joback Calculated Property |
| Cp,gas | 820.95 | J/mol×K | 894.33 | Joback Calculated Property |
| η | [0.0000927; 0.0012551] | Pa×s | [414.40; 718.06] |
|
| η | 0.0012551 | Pa×s | 414.40 | Joback Calculated Property |
| η | 0.0006418 | Pa×s | 465.01 | Joback Calculated Property |
| η | 0.0003744 | Pa×s | 515.62 | Joback Calculated Property |
| η | 0.0002405 | Pa×s | 566.23 | Joback Calculated Property |
| η | 0.0001661 | Pa×s | 616.84 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 667.45 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 718.06 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 448.70 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to Octanedioic acid, dibutyl ester.
Sources
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