- 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
- 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
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.7706 | Relay (1.0) Calculated Property | |
| ΔfG° | -646.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.804 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 531.15 | K | Relay (1.0) Calculated Property |
| Tc | 716.12 | K | Relay (1.0) Calculated Property |
| Tfus | 319.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.48; 356.04] | J/mol×K | [563.49; 755.08] | 
|
| Cp,gas | 302.48 | J/mol×K | 563.49 | Joback Calculated Property |
| Cp,gas | 312.69 | J/mol×K | 595.42 | Joback Calculated Property |
| Cp,gas | 322.38 | J/mol×K | 627.35 | Joback Calculated Property |
| Cp,gas | 331.55 | J/mol×K | 659.29 | Joback Calculated Property |
| Cp,gas | 340.21 | J/mol×K | 691.22 | Joback Calculated Property |
| Cp,gas | 348.37 | J/mol×K | 723.15 | Joback Calculated Property |
| Cp,gas | 356.04 | J/mol×K | 755.08 | Joback Calculated Property |
| η | [0.0002231; 0.0015691] | Pa×s | [371.58; 563.49] |
|
| η | 0.0015691 | Pa×s | 371.58 | Joback Calculated Property |
| η | 0.0009965 | Pa×s | 403.56 | Joback Calculated Property |
| η | 0.0006766 | Pa×s | 435.55 | Joback Calculated Property |
| η | 0.0004843 | Pa×s | 467.53 | Joback Calculated Property |
| η | 0.0003619 | Pa×s | 499.52 | Joback Calculated Property |
| η | 0.0002800 | Pa×s | 531.50 | Joback Calculated Property |
| η | 0.0002231 | Pa×s | 563.49 | 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
- Cheméo Relay (1.0)
- 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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