- InChI
- InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
- InChI Key
- UOBSVARXACCLLH-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- COC(=O)CCCCC(=O)O
- Molecular Weight1
- 160.17
- CAS
- 627-91-8
- Other Names
-
- 5-Carbomethoxypentanoic acid
- 6-Methoxy-6-oxohexanoic acid
- Hexanedioic acid, 1-methyl ester
- Methyl hemiadipate
- NSC 55113
- NSC 9389
- adipic acid, monomethyl ester
- methyl 5-carboxypentanoate
- methyl adipate
- methyl hydrogen adipate
- monomethyl adipate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -491.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.76 | kJ/mol | Joback Calculated Property |
| log10WS | -0.71 | Crippen Calculated Property | |
| logPoct/wat | 0.804 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 581.90 | K | Joback Calculated Property |
| Tc | 759.88 | K | Joback Calculated Property |
| Tfus | 351.56 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.49; 351.47] | J/mol×K | [581.90; 759.88] | 
|
| Cp,gas | 302.49 | J/mol×K | 581.90 | Joback Calculated Property |
| Cp,gas | 311.63 | J/mol×K | 611.56 | Joback Calculated Property |
| Cp,gas | 320.38 | J/mol×K | 641.23 | Joback Calculated Property |
| Cp,gas | 328.73 | J/mol×K | 670.89 | Joback Calculated Property |
| Cp,gas | 336.70 | J/mol×K | 700.56 | Joback Calculated Property |
| Cp,gas | 344.28 | J/mol×K | 730.22 | Joback Calculated Property |
| Cp,gas | 351.47 | J/mol×K | 759.88 | Joback Calculated Property |
| η | [0.0001109; 0.0045769] | Pa×s | [351.56; 581.90] |
|
| η | 0.0045769 | Pa×s | 351.56 | Joback Calculated Property |
| η | 0.0018146 | Pa×s | 389.95 | Joback Calculated Property |
| η | 0.0008492 | Pa×s | 428.34 | Joback Calculated Property |
| η | 0.0004503 | Pa×s | 466.73 | Joback Calculated Property |
| η | 0.0002630 | Pa×s | 505.12 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 543.51 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 581.90 | Joback Calculated Property |
| ΔvapH | 82.90 | kJ/mol | 478.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 435.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Hexanedioic acid, monomethyl ester.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Liquid liquid equilibria of aqueous mixtures containing selected dibasic esters and/or methanol
- Joback Method
- McGowan Method
- NIST Webbook
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