- 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
- CAS
- 1732-09-8
- 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).
- 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.
- 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 |
| ΔfG° | -434.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.23 | 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 | 1449.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1409.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | Outlier 249.30 | 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 | 691.27 | K | Relay (1.0) Calculated Property |
| Tfus | 285.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.642 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.69; 486.74] | J/mol×K | [580.78; 760.87] |
|
| Cp,gas | 415.69 | J/mol×K | 580.78 | Joback Calculated Property |
| Cp,gas | 428.88 | J/mol×K | 610.80 | Joback Calculated Property |
| Cp,gas | 441.54 | J/mol×K | 640.81 | Joback Calculated Property |
| Cp,gas | 453.66 | J/mol×K | 670.83 | Joback Calculated Property |
| Cp,gas | 465.23 | J/mol×K | 700.84 | Joback Calculated Property |
| Cp,gas | 476.26 | J/mol×K | 730.86 | Joback Calculated Property |
| Cp,gas | 486.74 | J/mol×K | 760.87 | Joback Calculated Property |
| η | [0.0001892; 0.0019074] | Pa×s | [346.78; 580.78] |
|
| η | 0.0019074 | Pa×s | 346.78 | Joback Calculated Property |
| η | 0.0010682 | Pa×s | 385.78 | Joback Calculated Property |
| η | 0.0006655 | Pa×s | 424.78 | Joback Calculated Property |
| η | 0.0004489 | Pa×s | 463.78 | Joback Calculated Property |
| η | 0.0003219 | Pa×s | 502.78 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 541.78 | Joback Calculated Property |
| η | 0.0001892 | Pa×s | 580.78 | 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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that the value is more than 2 standard deviations away from the
property mean.