- InChI
- InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
- InChI Key
- SHWINQXIGSEZAP-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- COC(=O)CCCCCC(=O)OC
- Molecular Weight1
- 188.22
- CAS
- 1732-08-7
- Other Names
-
- Dimethyl ester of heptanedioic acid
- Heptanedioic acid, methyl ester
- dimethyl 1,7-heptanedioate
- dimethyl heptanedioate
- dimethyl pimelate
- pimelic 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).
- 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 | -4920.40 | kJ/mol | NIST |
| ΔfG° | -442.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.50 ± 0.30 | kJ/mol | NIST |
| log10WS | -1.31 | Crippen Calculated Property | |
| logPoct/wat | 1.283 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2370.00 | kPa | Vapor P... |
| Inp | [229.76; 1346.00] |
|
|
| Inp | 1346.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1344.70 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | Outlier 229.76 | NIST | |
| Inp | 1344.70 | NIST | |
| Inp | Outlier 229.76 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1308.00 | NIST | |
| I | [1874.00; 1909.00] |
|
|
| I | 1874.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1908.00 | NIST | |
| I | 1908.00 | NIST | |
| I | 1874.00 | NIST | |
| Tboil | 557.90 | K | Joback Calculated Property |
| Tc | 739.72 | K | Joback Calculated Property |
| Tfus | 255.30 ± 0.60 | K | NIST |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.05; 435.00] | J/mol×K | [557.90; 739.72] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 370 380 390 400 410 420 430 440 600 650 700 | ||||
| Cp,gas | 368.05 | J/mol×K | 557.90 | Joback Calculated Property |
| Cp,gas | 380.43 | J/mol×K | 588.20 | Joback Calculated Property |
| Cp,gas | 392.33 | J/mol×K | 618.51 | Joback Calculated Property |
| Cp,gas | 403.74 | J/mol×K | 648.81 | Joback Calculated Property |
| Cp,gas | 414.66 | J/mol×K | 679.11 | Joback Calculated Property |
| Cp,gas | 425.08 | J/mol×K | 709.42 | Joback Calculated Property |
| Cp,gas | 435.00 | J/mol×K | 739.72 | Joback Calculated Property |
| η | [0.0002089; 0.0019834] | Pa×s | [335.51; 557.90] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 400 500 | ||||
| η | 0.0019834 | Pa×s | 335.51 | Joback Calculated Property |
| η | 0.0011310 | Pa×s | 372.57 | Joback Calculated Property |
| η | 0.0007139 | Pa×s | 409.64 | Joback Calculated Property |
| η | 0.0004864 | Pa×s | 446.70 | Joback Calculated Property |
| η | 0.0003515 | Pa×s | 483.77 | Joback Calculated Property |
| η | 0.0002660 | Pa×s | 520.84 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 557.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [394.70; 407.00] | K | [1.50; 2.40] |
|
| Tboilr | 394.70 | K | 1.50 | NIST |
| Tboilr | 407.00 ± 1.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Heptanedioic acid, dimethyl ester.
Sources
- 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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