- InChI
- InChI=1S/C16H22O5/c1-3-4-12-20-15(17)10-7-11-16(18)21-14-9-6-5-8-13(14)19-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3
- InChI Key
- PGYYYFLZGPEVDY-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
- CCCCOC(=O)CCCC(=O)Oc1ccccc1OC
- Molecular Weight1
- 294.34
- 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 | 0.8841 | Relay (1.0) Calculated Property | |
| ΔfG° | -386.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.114 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | 2201.00 | NIST | |
| Tboil | 617.95 | K | Relay (1.0) Calculated Property |
| Tc | 807.65 | K | Relay (1.0) Calculated Property |
| Tfus | 298.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.30; 749.72] | J/mol×K | [772.14; 973.24] | 
|
| Cp,gas | 676.30 | J/mol×K | 772.14 | Joback Calculated Property |
| Cp,gas | 691.04 | J/mol×K | 805.66 | Joback Calculated Property |
| Cp,gas | 704.79 | J/mol×K | 839.17 | Joback Calculated Property |
| Cp,gas | 717.53 | J/mol×K | 872.69 | Joback Calculated Property |
| Cp,gas | 729.27 | J/mol×K | 906.21 | Joback Calculated Property |
| Cp,gas | 739.99 | J/mol×K | 939.73 | Joback Calculated Property |
| Cp,gas | 749.72 | J/mol×K | 973.24 | Joback Calculated Property |
| η | [0.0000713; 0.0006097] | Pa×s | [475.57; 772.14] |
|
| η | 0.0006097 | Pa×s | 475.57 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 525.00 | Joback Calculated Property |
| η | 0.0002330 | Pa×s | 574.43 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 623.86 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 673.28 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 722.71 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 772.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 2-methoxyphenyl ester.
Sources
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