- InChI
- InChI=1S/C22H32O4/c1-2-3-4-5-6-10-18-25-21(23)16-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,12-15H,2-6,10-11,16-19H2,1H3/b15-12+
- InChI Key
- CLLYWQGFKCZJQO-NTCAYCPXSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)OCC=Cc1c
cccc1 - Molecular Weight1
- 360.49
- 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 | 0.9673 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.317 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1226.84 | kPa | Joback Calculated Property |
| Inp | 2813.00 | NIST | |
| Tboil | 664.62 | K | Relay (1.0) Calculated Property |
| Tc | 850.43 | K | Relay (1.0) Calculated Property |
| Tfus | 302.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.69; 1051.72] | J/mol×K | [886.18; 1091.44] | 
|
| Cp,gas | 970.69 | J/mol×K | 886.18 | Joback Calculated Property |
| Cp,gas | 986.89 | J/mol×K | 920.39 | Joback Calculated Property |
| Cp,gas | 1001.96 | J/mol×K | 954.60 | Joback Calculated Property |
| Cp,gas | 1015.92 | J/mol×K | 988.81 | Joback Calculated Property |
| Cp,gas | 1028.84 | J/mol×K | 1023.02 | Joback Calculated Property |
| Cp,gas | 1040.76 | J/mol×K | 1057.23 | Joback Calculated Property |
| Cp,gas | 1051.72 | J/mol×K | 1091.44 | Joback Calculated Property |
| η | [0.0000355; 0.0005199] | Pa×s | [503.36; 886.18] |
|
| η | 0.0005199 | Pa×s | 503.36 | Joback Calculated Property |
| η | 0.0002584 | Pa×s | 567.16 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 630.97 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 694.77 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 758.57 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 822.38 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 886.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, octyl 3-phenylprop-2-enyl ester.
Sources
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