- InChI
- InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
- InChI Key
- ALOUNLDAKADEEB-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- COC(=O)CCCCCCCCC(=O)OC
- Molecular Weight1
- 230.30
- CAS
- 106-79-6
- Other Names
-
- Decanedioic acid, methyl ester
- Dimethyl decanedioate
- Dimethyl octane-1,8-dicarboxylate
- Dimethyl sebacate
- Methyl sebacate
- Sebacic acid, dimethyl ester
- decadioic acid, dimethyl ester
- decandioic acid, dimethyl ester
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°solid | -6844.20 | kJ/mol | NIST |
| 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° | 86.40 ± 0.30 | kJ/mol | NIST |
| log10WS | -3.28 | Aq. Sol... | |
| logPoct/wat | 2.453 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 2080.00 | kPa | Vapor P... |
| Inp | [279.26; 1650.50] |
|
|
| Inp | 1613.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1650.50 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Inp | Outlier 282.90 | NIST | |
| Inp | Outlier 283.00 | NIST | |
| Inp | Outlier 283.00 | NIST | |
| Inp | Outlier 279.26 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | Outlier 282.90 | NIST | |
| I | [2195.00; 2220.00] |
|
|
| I | 2212.00 | NIST | |
| I | 2220.00 | NIST | |
| I | 2195.00 | NIST | |
| Tboil | 626.54 | K | Joback Calculated Property |
| Tc | 803.91 | K | Joback Calculated Property |
| Tfus | [299.55; 303.53] | K |
|
| Tfus | Outlier 303.53 | K | Aq. Sol... |
| Tfus | 301.20 ± 2.00 | K | NIST |
| Tfus | 299.95 ± 0.50 | K | NIST |
| Tfus | 300.20 ± 1.50 | K | NIST |
| Tfus | 299.60 ± 2.00 | K | NIST |
| Tfus | 299.55 ± 0.50 | K | NIST |
| 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] |
|
| 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 |
| η | [0.0001522; 0.0017118] | Pa×s | [369.32; 626.54] |
|
| 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [431.20; 448.20] | K | [1.30; 2.70] |
|
| Tboilr | 431.20 | K | 1.30 | NIST |
| Tboilr | 448.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [407.38; 599.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.07093e+01 | |||
| Coefficient B | -1.19940e+04 | |||
| Coefficient C | 1.79937e+02 | |||
| Temperature range, min. | 407.38 | |||
| Temperature range, max. | 599.00 | |||
| Pvap | 1.33 | kPa | 407.38 | Calculated Property |
| Pvap | 2.72 | kPa | 428.67 | Calculated Property |
| Pvap | 5.30 | kPa | 449.96 | Calculated Property |
| Pvap | 9.88 | kPa | 471.25 | Calculated Property |
| Pvap | 17.71 | kPa | 492.54 | Calculated Property |
| Pvap | 30.61 | kPa | 513.84 | Calculated Property |
| Pvap | 51.22 | kPa | 535.13 | Calculated Property |
| Pvap | 83.18 | kPa | 556.42 | Calculated Property |
| Pvap | 131.47 | kPa | 577.71 | Calculated Property |
| Pvap | 202.65 | kPa | 599.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanedioic acid, dimethyl ester.
Sources
- Crippen Method
- Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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