- InChI
- InChI=1S/C21H30O6/c1-4-5-6-7-8-9-10-15-26-20(22)13-14-21(23)27-17-11-12-18(24-2)19(16-17)25-3/h11-14,16H,4-10,15H2,1-3H3/b14-13+
- InChI Key
- KXFMBMCMVYNTBU-BUHFOSPRSA-N
- Formula
- C21H30O6
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)Oc1ccc(
OC)c(OC)c1 - Molecular Weight1
- 378.46
- 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° | -378.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.459 | Crippen Calculated Property | |
| McVol | 305.310 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Inp | [2884.00; 2884.00] |
|
|
| Inp | 2884.00 | NIST | |
| Inp | 2884.00 | NIST | |
| Tboil | 918.10 | K | Joback Calculated Property |
| Tc | 1127.82 | K | Joback Calculated Property |
| Tfus | 561.59 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.30; 1035.41] | J/mol×K | [918.10; 1127.82] |
|
| Cp,gas | 967.30 | J/mol×K | 918.10 | Joback Calculated Property |
| Cp,gas | 981.98 | J/mol×K | 953.05 | Joback Calculated Property |
| Cp,gas | 995.32 | J/mol×K | 988.01 | Joback Calculated Property |
| Cp,gas | 1007.32 | J/mol×K | 1022.96 | Joback Calculated Property |
| Cp,gas | 1018.01 | J/mol×K | 1057.91 | Joback Calculated Property |
| Cp,gas | 1027.37 | J/mol×K | 1092.86 | Joback Calculated Property |
| Cp,gas | 1035.41 | J/mol×K | 1127.82 | Joback Calculated Property |
| η | [0.0000236; 0.0002122] | Pa×s | [561.59; 918.10] |
|
| η | 0.0002122 | Pa×s | 561.59 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 621.01 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 680.43 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 739.84 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 799.26 | Joback Calculated Property |
| η | 0.0000300 | Pa×s | 858.68 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 918.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl nonyl ester.
Sources
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