- 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 | 282.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 82.90 | kJ/mol | 478.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 435.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.94; 399.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.65340e+01 | |||
| Coefficient B | 6.64820e-01 | |||
| Coefficient C | -3.35000e-04 | |||
| Coefficient D | 4.30000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 312.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 336.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 356.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 373.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 387.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 399.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0096393; 0.0002863] | Pa×s | [282.15; 528.56] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21848e+01 | |||
| Coefficient B | 2.12822e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 282.15 | |||
| Temperature range, max. | 528.56 | |||
| η | 0.0096393 | Pa×s | 282.15 | Calculated Property |
| η | 0.0049464 | Pa×s | 309.53 | Calculated Property |
| η | 0.0028290 | Pa×s | 336.91 | Calculated Property |
| η | 0.0017597 | Pa×s | 364.29 | Calculated Property |
| η | 0.0011697 | Pa×s | 391.66 | Calculated Property |
| η | 0.0008202 | Pa×s | 419.04 | Calculated Property |
| η | 0.0006007 | Pa×s | 446.42 | Calculated Property |
| η | 0.0004560 | Pa×s | 473.80 | Calculated Property |
| η | 0.0003568 | Pa×s | 501.18 | Calculated Property |
| η | 0.0002863 | Pa×s | 528.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, monomethyl ester.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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