- InChI
- InChI=1S/C18H24O5/c1-4-5-6-7-14(2)22-17(19)12-13-18(20)23-16-10-8-15(21-3)9-11-16/h8-14H,4-7H2,1-3H3/b13-12+
- InChI Key
- KYPMHSBPMAMSKD-OUKQBFOZSA-N
- Formula
- C18H24O5
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc(
OC)cc1 - Molecular Weight1
- 320.38
- 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° | -291.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.669 | Crippen Calculated Property | |
| McVol | 257.170 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | [2360.00; 2360.00] |
|
|
| Inp | 2360.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Tboil | 821.62 | K | Joback Calculated Property |
| Tc | 1028.71 | K | Joback Calculated Property |
| Tfus | 478.03 | K | Joback Calculated Property |
| Vc | 0.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.47; 837.79] | J/mol×K | [821.62; 1028.71] |
|
| Cp,gas | 764.47 | J/mol×K | 821.62 | Joback Calculated Property |
| Cp,gas | 779.39 | J/mol×K | 856.14 | Joback Calculated Property |
| Cp,gas | 793.20 | J/mol×K | 890.65 | Joback Calculated Property |
| Cp,gas | 805.93 | J/mol×K | 925.17 | Joback Calculated Property |
| Cp,gas | 817.60 | J/mol×K | 959.68 | Joback Calculated Property |
| Cp,gas | 828.21 | J/mol×K | 994.20 | Joback Calculated Property |
| Cp,gas | 837.79 | J/mol×K | 1028.71 | Joback Calculated Property |
| η | [0.0000435; 0.0005308] | Pa×s | [478.03; 821.62] |
|
| η | 0.0005308 | Pa×s | 478.03 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 535.29 | Joback Calculated Property |
| η | 0.0001670 | Pa×s | 592.56 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 649.82 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 707.09 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 764.35 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 821.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-methoxyphenyl hept-2-yl ester.
Sources
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