- InChI
- InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
- InChI Key
- UZNLHJCCGYKCIL-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CCOC(=O)CCCCC(=O)O
- Molecular Weight1
- 174.19
- CAS
- 626-86-8
- Other Names
-
- Adipic acid monoethyl ester
- Monoethyl adipate
- Ethyl hydrogen adipate
- Hexanoic acid, monoethyl ester
- Monoethyladipic acid ester
- Monoethyl hexanedioate
- 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).
- 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° | -483.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.13 | Crippen Calculated Property | |
| logPoct/wat | 1.194 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Tboil | 604.78 | K | Joback Calculated Property |
| Tc | 781.41 | K | Joback Calculated Property |
| Tfus | 362.83 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.85; 402.24] | J/mol×K | [604.78; 781.41] | 
|
| Cp,gas | 348.85 | J/mol×K | 604.78 | Joback Calculated Property |
| Cp,gas | 358.84 | J/mol×K | 634.22 | Joback Calculated Property |
| Cp,gas | 368.39 | J/mol×K | 663.66 | Joback Calculated Property |
| Cp,gas | 377.50 | J/mol×K | 693.10 | Joback Calculated Property |
| Cp,gas | 386.17 | J/mol×K | 722.54 | Joback Calculated Property |
| Cp,gas | 394.42 | J/mol×K | 751.97 | Joback Calculated Property |
| Cp,gas | 402.24 | J/mol×K | 781.41 | Joback Calculated Property |
| η | [0.0000932; 0.0039495] | Pa×s | [362.83; 604.78] |
|
| η | 0.0039495 | Pa×s | 362.83 | Joback Calculated Property |
| η | 0.0015479 | Pa×s | 403.15 | Joback Calculated Property |
| η | 0.0007193 | Pa×s | 443.48 | Joback Calculated Property |
| η | 0.0003798 | Pa×s | 483.80 | Joback Calculated Property |
| η | 0.0002213 | Pa×s | 524.13 | Joback Calculated Property |
| η | 0.0001392 | Pa×s | 564.45 | Joback Calculated Property |
| η | 0.0000932 | Pa×s | 604.78 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 453.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Hexanedioic acid, monoethyl ester.
Sources
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