- InChI
- InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3
- InChI Key
- YUXIBTJKHLUKBD-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCCCOC(=O)CCC(=O)OCCCC
- Molecular Weight1
- 230.30
- CAS
- 141-03-7
- Other Names
-
- B-9
- Butanedioic acid, 1,4-dibutyl ester
- Butyl butanedioate
- DNBS
- Di-n-butylester kyseliny jantarove
- Dibutyl butanedioate
- ENT 666
- NSC 1502
- Succinic acid di-n-butyl ester
- Tabatrex
- Tabutrex
- di-n-butyl succinate
- dibutyl succinate
- succinic acid, dibutyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -417.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.453 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1534.00 | NIST | |
| I | 2000.00 | NIST | |
| S°liquid | 548.44 | J/mol×K | NIST |
| Tboil | [408.00; 547.70] | K |
|
| Tboil | 408.00 ± 6.00 | K | NIST |
| Tboil | 547.70 ± 1.00 | K | NIST |
| Tc | 803.91 | K | Joback Calculated Property |
| Tfus | 369.32 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.96; 593.78] | J/mol×K | [626.54; 803.91] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 520 540 560 580 600 650 700 750 800 | ||||
| Cp,gas | 515.96 | J/mol×K | 626.54 | Joback Calculated Property |
| Cp,gas | 530.51 | J/mol×K | 656.10 | Joback Calculated Property |
| Cp,gas | 544.42 | J/mol×K | 685.66 | Joback Calculated Property |
| Cp,gas | 557.71 | J/mol×K | 715.23 | Joback Calculated Property |
| Cp,gas | 570.37 | J/mol×K | 744.79 | Joback Calculated Property |
| Cp,gas | 582.39 | J/mol×K | 774.35 | Joback Calculated Property |
| Cp,gas | 593.78 | J/mol×K | 803.91 | Joback Calculated Property |
| Cp,liquid | 436.24 | J/mol×K | 298.15 | NIST |
| η | [0.0001522; 0.0017118] | Pa×s | [369.32; 626.54] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 400 500 600 | ||||
| η | 0.0017118 | Pa×s | 369.32 | Joback Calculated Property |
| η | 0.0009273 | Pa×s | 412.19 | Joback Calculated Property |
| η | 0.0005638 | Pa×s | 455.06 | Joback Calculated Property |
| η | 0.0003735 | Pa×s | 497.93 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 540.80 | Joback Calculated Property |
| η | 0.0001965 | Pa×s | 583.67 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 626.54 | Joback Calculated Property |
| ΔfusH | [29.21; 29.21] | kJ/mol | [244.10; 244.13] |
|
| ΔfusH | 29.21 | kJ/mol | 244.10 | NIST |
| ΔfusH | 29.21 | kJ/mol | 244.10 | NIST |
| ΔfusH | 29.21 | kJ/mol | 244.13 | NIST |
| Pvap | [1.32e-03; 0.05] | kPa | [313.30; 358.20] |
|
|
T(K) Vapor pressure (kPa) 0 0.01 0.02 0.03 0.04 0.05 320 330 340 350 | ||||
| Pvap | 1.32e-03 | kPa | 313.30 | Vapor P... |
| Pvap | 1.70e-03 | kPa | 316.20 | Vapor P... |
| Pvap | 2.05e-03 | kPa | 318.30 | Vapor P... |
| Pvap | 2.48e-03 | kPa | 320.20 | Vapor P... |
| Pvap | 3.25e-03 | kPa | 323.20 | Vapor P... |
| Pvap | 3.83e-03 | kPa | 325.20 | Vapor P... |
| Pvap | 4.89e-03 | kPa | 328.20 | Vapor P... |
| Pvap | 5.77e-03 | kPa | 330.20 | Vapor P... |
| Pvap | 7.43e-03 | kPa | 333.20 | Vapor P... |
| Pvap | 8.77e-03 | kPa | 335.40 | Vapor P... |
| Pvap | 0.01 | kPa | 338.20 | Vapor P... |
| Pvap | 0.01 | kPa | 340.10 | Vapor P... |
| Pvap | 0.02 | kPa | 343.20 | Vapor P... |
| Pvap | 0.02 | kPa | 346.20 | Vapor P... |
| Pvap | 0.02 | kPa | 349.20 | Vapor P... |
| Pvap | 0.03 | kPa | 352.10 | Vapor P... |
| Pvap | 0.04 | kPa | 355.10 | Vapor P... |
| Pvap | 0.05 | kPa | 358.20 | Vapor P... |
| ρl | [938.70; 975.30] | kg/m3 | [293.15; 333.15] |
|
|
T(K) Liquid Density (kg/m3) 940 945 950 955 960 965 970 975 300 310 320 330 | ||||
| ρl | 975.30 | kg/m3 | 293.15 | Solubil... |
| ρl | 966.20 | kg/m3 | 303.15 | Solubil... |
| ρl | 957.00 | kg/m3 | 313.15 | Solubil... |
| ρl | 947.80 | kg/m3 | 323.15 | Solubil... |
| ρl | 938.70 | kg/m3 | 333.15 | Solubil... |
| ΔfusS | 119.60 | J/mol×K | 244.13 | NIST |
Similar Compounds
Find more compounds similar to Butanedioic acid, dibutyl ester.
Mixtures
- Sulfur dioxide + Butanedioic acid, dibutyl ester
- 1-Butanol + Butanedioic acid, dibutyl ester
- Acetonitrile + Butanedioic acid, dibutyl ester
- Tetrahydrofuran + Butanedioic acid, dibutyl ester
- Water + Butanedioic acid, dibutyl ester
- Carbon dioxide + Butanedioic acid, dibutyl ester
Sources
- Crippen Method
- Crippen Method
- Solubilities and thermodynamic properties of SO2 in five biobased solvents
- Phase Behavior of Binary Mixtures Containing Succinic Acid or Its Esters
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
- Solubilities of Carbon Dioxide in Five Bio-based Solvents
- Joback Method
- McGowan Method
- NIST Webbook
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.