- InChI
- InChI=1S/C15H18O6/c1-4-9-20-14(16)7-8-15(17)21-11-5-6-12(18-2)13(10-11)19-3/h5-8,10H,4,9H2,1-3H3/b8-7+
- InChI Key
- ZTJKSTVJDDCBPR-BQYQJAHWSA-N
- Formula
- C15H18O6
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1ccc(OC)c(O
C)c1 - Molecular Weight1
- 294.30
- 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 | 0.8668 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.119 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Inp | 2253.00 | NIST | |
| Tboil | 610.26 | K | Relay (1.0) Calculated Property |
| Tc | 811.73 | K | Relay (1.0) Calculated Property |
| Tfus | 353.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.97; 687.65] | J/mol×K | [780.82; 989.28] | 
|
| Cp,gas | 621.97 | J/mol×K | 780.82 | Joback Calculated Property |
| Cp,gas | 635.41 | J/mol×K | 815.56 | Joback Calculated Property |
| Cp,gas | 647.87 | J/mol×K | 850.31 | Joback Calculated Property |
| Cp,gas | 659.33 | J/mol×K | 885.05 | Joback Calculated Property |
| Cp,gas | 669.79 | J/mol×K | 919.79 | Joback Calculated Property |
| Cp,gas | 679.24 | J/mol×K | 954.53 | Joback Calculated Property |
| Cp,gas | 687.65 | J/mol×K | 989.28 | Joback Calculated Property |
| η | [0.0000540; 0.0003763] | Pa×s | [493.97; 780.82] |
|
| η | 0.0003763 | Pa×s | 493.97 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 541.78 | Joback Calculated Property |
| η | 0.0001597 | Pa×s | 589.59 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 637.39 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 685.20 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 733.01 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 780.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl propyl ester.
Sources
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