- InChI
- InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
- InChI Key
- LNLCRJXCNQABMV-UHFFFAOYSA-N
- Formula
- C10H18O4
- SMILES
- COC(=O)CCCCCCC(=O)OC
- Molecular Weight1
- 202.25
- Other Names
-
- 1,8-octanedioic acid, dimethyl ester
- Dimethyl ester of octanedioic acid
- Octandioic acid, dimethyl ester
- dimethyl octanedioate
- dimethyl suberate
- suberic acid, dimethyl ester
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6955 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5574.30 | kJ/mol | NIST |
| ΔfH°gas | -855.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.10 ± 0.20 | kJ/mol | NIST |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.673 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2300.00 | kPa | Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids |
| Inp | [247.42; 1449.00] |
|
|
| Inp | 1449.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1409.00 | NIST | |
| Inp | 1409.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1416.00 | NIST | |
| Inp | 1447.30 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1449.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | Outlier 249.30 | NIST | |
| Inp | Outlier 249.30 | NIST | |
| Inp | Outlier 247.42 | NIST | |
| Inp | 1409.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | Outlier 249.30 | NIST | |
| Inp | 1449.00 | NIST | |
| Inp | 1410.00 | NIST | |
| I | [1973.00; 2010.00] |
|
|
| I | 1973.00 | NIST | |
| I | 2010.00 | NIST | |
| I | 2010.00 | NIST | |
| I | 1985.00 | NIST | |
| I | 2010.00 | NIST | |
| I | 2010.00 | NIST | |
| Tboil | 541.20 | K | NIST |
| Tc | 694.17 | K | Relay (1.0) Calculated Property |
| Tfus | 280.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.30; 478.42] | J/mol×K | [544.84; 719.80] |
|
| Cp,gas | 405.30 | J/mol×K | 544.84 | Joback Calculated Property |
| Cp,gas | 418.94 | J/mol×K | 574.00 | Joback Calculated Property |
| Cp,gas | 432.01 | J/mol×K | 603.16 | Joback Calculated Property |
| Cp,gas | 444.49 | J/mol×K | 632.32 | Joback Calculated Property |
| Cp,gas | 456.38 | J/mol×K | 661.48 | Joback Calculated Property |
| Cp,gas | 467.69 | J/mol×K | 690.64 | Joback Calculated Property |
| Cp,gas | 478.42 | J/mol×K | 719.80 | Joback Calculated Property |
| η | [0.0001620; 0.0046026] | Pa×s | [287.12; 544.84] |
|
| η | 0.0046026 | Pa×s | 287.12 | Joback Calculated Property |
| η | 0.0018329 | Pa×s | 330.07 | Joback Calculated Property |
| η | 0.0009023 | Pa×s | 373.03 | Joback Calculated Property |
| η | 0.0005142 | Pa×s | 415.98 | Joback Calculated Property |
| η | 0.0003256 | Pa×s | 458.93 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 501.89 | Joback Calculated Property |
| η | 0.0001620 | Pa×s | 544.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 419.50 ± 1.50 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Octanedioic acid, dimethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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