- InChI
- InChI=1S/C17H28O5/c1-4-5-6-7-8-9-10-13-21-16(19)11-12-17(20)22-15(3)14(2)18/h11-12,15H,4-10,13H2,1-3H3/b12-11+
- InChI Key
- DGZGWSFAYNREFH-VAWYXSNFSA-N
- Formula
- C17H28O5
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)OC(C)C(
C)=O - Molecular Weight1
- 312.40
- 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° | -426.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.357 | Crippen Calculated Property | |
| McVol | 262.540 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [2156.00; 2156.00] |
|
|
| Inp | 2156.00 | NIST | |
| Inp | 2156.00 | NIST | |
| Tboil | 798.53 | K | Joback Calculated Property |
| Tc | 989.55 | K | Joback Calculated Property |
| Tfus | 455.52 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.93; 867.02] | J/mol×K | [798.53; 989.55] |
|
| Cp,gas | 788.93 | J/mol×K | 798.53 | Joback Calculated Property |
| Cp,gas | 804.20 | J/mol×K | 830.37 | Joback Calculated Property |
| Cp,gas | 818.54 | J/mol×K | 862.20 | Joback Calculated Property |
| Cp,gas | 831.97 | J/mol×K | 894.04 | Joback Calculated Property |
| Cp,gas | 844.51 | J/mol×K | 925.87 | Joback Calculated Property |
| Cp,gas | 856.19 | J/mol×K | 957.71 | Joback Calculated Property |
| Cp,gas | 867.02 | J/mol×K | 989.55 | Joback Calculated Property |
| η | [0.0000623; 0.0009665] | Pa×s | [455.52; 798.53] |
|
| η | 0.0009665 | Pa×s | 455.52 | Joback Calculated Property |
| η | 0.0004743 | Pa×s | 512.69 | Joback Calculated Property |
| η | 0.0002685 | Pa×s | 569.86 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 627.02 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 684.19 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 741.36 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 798.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, nonyl 3-oxobut-2-yl ester.
Sources
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