- InChI
- InChI=1S/C12H22O4/c1-5-15-11(13)7-6-8-12(14)16-10(4)9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- QDPMOQWJDAVKAG-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCCC(=O)OC(C)C(C)C
- Molecular Weight1
- 230.30
- 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.6765 | Relay (1.0) Calculated Property | |
| ΔfG° | -575.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1820.06 | kPa | Joback Calculated Property |
| Inp | [1511.00; 1511.00] |
|
|
| Inp | 1511.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Tboil | 523.42 | K | Relay (1.0) Calculated Property |
| Tc | 693.76 | K | Relay (1.0) Calculated Property |
| Tfus | 243.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.52; 587.12] | J/mol×K | [589.72; 768.12] |
|
| Cp,gas | 504.52 | J/mol×K | 589.72 | Joback Calculated Property |
| Cp,gas | 520.11 | J/mol×K | 619.45 | Joback Calculated Property |
| Cp,gas | 534.97 | J/mol×K | 649.19 | Joback Calculated Property |
| Cp,gas | 549.10 | J/mol×K | 678.92 | Joback Calculated Property |
| Cp,gas | 562.50 | J/mol×K | 708.65 | Joback Calculated Property |
| Cp,gas | 575.17 | J/mol×K | 738.39 | Joback Calculated Property |
| Cp,gas | 587.12 | J/mol×K | 768.12 | Joback Calculated Property |
| η | [0.0001116; 0.0083572] | Pa×s | [279.66; 589.72] |
|
| η | 0.0083572 | Pa×s | 279.66 | Joback Calculated Property |
| η | 0.0023233 | Pa×s | 331.34 | Joback Calculated Property |
| η | 0.0009123 | Pa×s | 383.01 | Joback Calculated Property |
| η | 0.0004474 | Pa×s | 434.69 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 486.37 | Joback Calculated Property |
| η | 0.0001623 | Pa×s | 538.04 | Joback Calculated Property |
| η | 0.0001116 | Pa×s | 589.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-methylbut-2-yl ester.
Sources
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