- InChI
- InChI=1S/C19H26O4/c1-16(2)13-15-23-19(21)12-6-11-18(20)22-14-7-10-17-8-4-3-5-9-17/h3-5,8-9,13H,6-7,10-12,14-15H2,1-2H3
- InChI Key
- XDTLPXPWTZYYMK-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
CC(C)=CCOC(=O)CCCC(=O)OCCCc1cc
ccc1 - Molecular Weight1
- 318.41
- 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 | 0.8320 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.842 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [2387.00; 2387.00] |
|
|
| Inp | 2387.00 | NIST | |
| Inp | 2387.00 | NIST | |
| Tboil | 646.13 | K | Relay (1.0) Calculated Property |
| Tc | 826.44 | K | Relay (1.0) Calculated Property |
| Tfus | 289.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.48; 872.25] | J/mol×K | [817.42; 1022.73] |
|
| Cp,gas | 793.48 | J/mol×K | 817.42 | Joback Calculated Property |
| Cp,gas | 809.13 | J/mol×K | 851.64 | Joback Calculated Property |
| Cp,gas | 823.73 | J/mol×K | 885.86 | Joback Calculated Property |
| Cp,gas | 837.30 | J/mol×K | 920.08 | Joback Calculated Property |
| Cp,gas | 849.88 | J/mol×K | 954.30 | Joback Calculated Property |
| Cp,gas | 861.52 | J/mol×K | 988.51 | Joback Calculated Property |
| Cp,gas | 872.25 | J/mol×K | 1022.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 3-phenylpropyl ester.
Sources
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