- InChI
- InChI=1S/C18H24O4/c1-15(2)11-13-21-17(19)9-6-10-18(20)22-14-12-16-7-4-3-5-8-16/h3-5,7-8,11H,6,9-10,12-14H2,1-2H3
- InChI Key
- CZJIYNHLEVCWMH-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CC(C)=CCOC(=O)CCCC(=O)OCCc1ccc
cc1 - Molecular Weight1
- 304.38
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7916 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.452 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | [2244.00; 2244.00] |
|
|
| Inp | 2244.00 | NIST | |
| Inp | 2244.00 | NIST | |
| Tboil | 635.04 | K | Relay (1.0) Calculated Property |
| Tc | 819.00 | K | Relay (1.0) Calculated Property |
| Tfus | 283.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.915 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.20; 813.87] | J/mol×K | [794.54; 1000.83] |
|
| Cp,gas | 736.20 | J/mol×K | 794.54 | Joback Calculated Property |
| Cp,gas | 751.62 | J/mol×K | 828.92 | Joback Calculated Property |
| Cp,gas | 766.01 | J/mol×K | 863.30 | Joback Calculated Property |
| Cp,gas | 779.39 | J/mol×K | 897.68 | Joback Calculated Property |
| Cp,gas | 791.80 | J/mol×K | 932.06 | Joback Calculated Property |
| Cp,gas | 803.28 | J/mol×K | 966.44 | Joback Calculated Property |
| Cp,gas | 813.87 | J/mol×K | 1000.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl phenethyl ester.
Sources
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