- InChI
- InChI=1S/C23H42O4/c1-5-7-8-9-10-11-12-13-14-15-16-19-26-22(24)17-18-23(25)27-21(6-2)20(3)4/h17-18,20-21H,5-16,19H2,1-4H3/b18-17+
- InChI Key
- YOIKCDKVGCMJKN-ISLYRVAYSA-N
- Formula
- C23H42O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OC(
CC)C(C)C - Molecular Weight1
- 382.58
- 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 | 1.0578 | Relay (1.0) Calculated Property | |
| ΔfG° | -249.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1050.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.375 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 937.49 | kPa | Joback Calculated Property |
| Inp | [2572.00; 2572.00] |
|
|
| Inp | 2572.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Tboil | 625.48 | K | Relay (1.0) Calculated Property |
| Tc | 798.85 | K | Relay (1.0) Calculated Property |
| Tfus | 283.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.279 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1128.76; 1225.26] | J/mol×K | [881.50; 1079.40] |
|
| Cp,gas | 1128.76 | J/mol×K | 881.50 | Joback Calculated Property |
| Cp,gas | 1147.77 | J/mol×K | 914.48 | Joback Calculated Property |
| Cp,gas | 1165.55 | J/mol×K | 947.47 | Joback Calculated Property |
| Cp,gas | 1182.15 | J/mol×K | 980.45 | Joback Calculated Property |
| Cp,gas | 1197.61 | J/mol×K | 1013.43 | Joback Calculated Property |
| Cp,gas | 1211.97 | J/mol×K | 1046.42 | Joback Calculated Property |
| Cp,gas | 1225.26 | J/mol×K | 1079.40 | Joback Calculated Property |
| η | [0.0000250; 0.0007651] | Pa×s | [458.21; 881.50] |
|
| η | 0.0007651 | Pa×s | 458.21 | Joback Calculated Property |
| η | 0.0002957 | Pa×s | 528.76 | Joback Calculated Property |
| η | 0.0001430 | Pa×s | 599.31 | Joback Calculated Property |
| η | 0.0000806 | Pa×s | 669.86 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 740.40 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 810.95 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 881.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpent-3-yl tridecyl ester.
Sources
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