- InChI
- InChI=1S/C25H30O5/c1-2-3-4-5-6-10-19-28-24(26)17-18-25(27)29-20-21-13-15-23(16-14-21)30-22-11-8-7-9-12-22/h7-9,11-18H,2-6,10,19-20H2,1H3/b18-17+
- InChI Key
- SQCQJMONXDFJHZ-ISLYRVAYSA-N
- Formula
- C25H30O5
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OCc1ccc(
Oc2ccccc2)cc1 - Molecular Weight1
- 410.50
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -117.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 5.982 | Crippen Calculated Property | |
| McVol | 332.040 | ml/mol | McGowan Calculated Property |
| Pc | 1236.35 | kPa | Joback Calculated Property |
| Inp | [3125.00; 3125.00] |
|
|
| Inp | 3125.00 | NIST | |
| Inp | 3125.00 | NIST | |
| Tboil | 1008.90 | K | Joback Calculated Property |
| Tc | 1238.71 | K | Joback Calculated Property |
| Tfus | 598.34 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.29; 1135.37] | J/mol×K | [1008.90; 1238.71] |
|
| Cp,gas | 1075.29 | J/mol×K | 1008.90 | Joback Calculated Property |
| Cp,gas | 1088.68 | J/mol×K | 1047.20 | Joback Calculated Property |
| Cp,gas | 1100.65 | J/mol×K | 1085.50 | Joback Calculated Property |
| Cp,gas | 1111.24 | J/mol×K | 1123.81 | Joback Calculated Property |
| Cp,gas | 1120.51 | J/mol×K | 1162.11 | Joback Calculated Property |
| Cp,gas | 1128.54 | J/mol×K | 1200.41 | Joback Calculated Property |
| Cp,gas | 1135.37 | J/mol×K | 1238.71 | Joback Calculated Property |
| η | [0.0000178; 0.0001945] | Pa×s | [598.34; 1008.90] |
|
| η | 0.0001945 | Pa×s | 598.34 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 666.77 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 735.19 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 803.62 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 872.05 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 940.47 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 1008.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl 4-phenoxybenzyl ester.
Sources
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