- InChI
- InChI=1S/C16H26O4/c1-3-5-7-8-10-14-20-16(18)12-11-15(17)19-13-9-6-4-2/h4,11-12H,2-3,5-10,13-14H2,1H3/b12-11+
- InChI Key
- SGLOUBOOSRWDAJ-VAWYXSNFSA-N
- Formula
- C16H26O4
- SMILES
- C=CCCCOC(=O)C=CC(=O)OCCCCCCC
- Molecular Weight1
- 282.38
- 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 | 0.8409 | Relay (1.0) Calculated Property | |
| ΔfG° | -368.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1423.99 | kPa | Joback Calculated Property |
| Inp | [1988.00; 1988.00] |
|
|
| Inp | 1988.00 | NIST | |
| Inp | 1988.00 | NIST | |
| Tboil | 598.48 | K | Relay (1.0) Calculated Property |
| Tc | 753.76 | K | Relay (1.0) Calculated Property |
| Tfus | 256.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.79; 755.85] | J/mol×K | [682.96; 860.51] |
|
| Cp,gas | 672.79 | J/mol×K | 682.96 | Joback Calculated Property |
| Cp,gas | 688.70 | J/mol×K | 712.55 | Joback Calculated Property |
| Cp,gas | 703.75 | J/mol×K | 742.14 | Joback Calculated Property |
| Cp,gas | 717.97 | J/mol×K | 771.73 | Joback Calculated Property |
| Cp,gas | 731.38 | J/mol×K | 801.32 | Joback Calculated Property |
| Cp,gas | 744.00 | J/mol×K | 830.92 | Joback Calculated Property |
| Cp,gas | 755.85 | J/mol×K | 860.51 | Joback Calculated Property |
| η | [0.0000681; 0.0023387] | Pa×s | [347.90; 682.96] |
|
| η | 0.0023387 | Pa×s | 347.90 | Joback Calculated Property |
| η | 0.0008630 | Pa×s | 403.74 | Joback Calculated Property |
| η | 0.0004058 | Pa×s | 459.59 | Joback Calculated Property |
| η | 0.0002247 | Pa×s | 515.43 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 571.27 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 627.12 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 682.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl pent-4-enyl ester.
Sources
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