- InChI
- InChI=1S/C27H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-8-6-4-2/h6,8,22-23H,3-5,7,9-21,24-25H2,1-2H3/b8-6+,23-22+
- InChI Key
- WUNDBFSYURGPIV-FHKQEHFBSA-N
- Formula
- C27H48O4
- SMILES
-
CCC=CCCOC(=O)C=CC(=O)OCCCCCCCC
CCCCCCCCC - Molecular Weight1
- 436.67
- 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° | -130.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.92 | kJ/mol | Joback Calculated Property |
| log10WS | -8.56 | Crippen Calculated Property | |
| logPoct/wat | 7.857 | Crippen Calculated Property | |
| McVol | 397.570 | ml/mol | McGowan Calculated Property |
| Pc | 765.64 | kPa | Joback Calculated Property |
| Inp | [3076.00; 3076.00] |
|
|
| Inp | 3076.00 | NIST | |
| Inp | 3076.00 | NIST | |
| Tboil | 978.06 | K | Joback Calculated Property |
| Tc | 1203.84 | K | Joback Calculated Property |
| Tfus | 528.21 | K | Joback Calculated Property |
| Vc | 1.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.80; 1459.30] | J/mol×K | [978.06; 1203.84] |
|
| Cp,gas | 1353.80 | J/mol×K | 978.06 | Joback Calculated Property |
| Cp,gas | 1374.69 | J/mol×K | 1015.69 | Joback Calculated Property |
| Cp,gas | 1394.13 | J/mol×K | 1053.32 | Joback Calculated Property |
| Cp,gas | 1412.23 | J/mol×K | 1090.95 | Joback Calculated Property |
| Cp,gas | 1429.06 | J/mol×K | 1128.58 | Joback Calculated Property |
| Cp,gas | 1444.72 | J/mol×K | 1166.21 | Joback Calculated Property |
| Cp,gas | 1459.30 | J/mol×K | 1203.84 | Joback Calculated Property |
| η | [0.0000142; 0.0003108] | Pa×s | [528.21; 978.06] |
|
| η | 0.0003108 | Pa×s | 528.21 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 603.19 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 678.16 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 753.13 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 828.11 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 903.09 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 978.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptadecyl trans-hex-3-enyl ester.
Sources
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