- InChI
- InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h19,21H,3-18,20,22H2,1-2H3/b21-19+
- InChI Key
- ZGECTZNHMQNLSP-XUTLUUPISA-N
- Formula
- C23H44O2
- SMILES
- CCCCC=CC(=O)OCCCCCCCCCCCCCCCC
- Molecular Weight1
- 352.59
- 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 | 1.0371 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.757 | Crippen Calculated Property | |
| McVol | 338.070 | ml/mol | McGowan Calculated Property |
| Pc | 902.89 | kPa | Joback Calculated Property |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 610.83 | K | Relay (1.0) Calculated Property |
| Tc | 801.51 | K | Relay (1.0) Calculated Property |
| Tfus | 289.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.301 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1068.83; 1177.00] | J/mol×K | [806.09; 988.24] |
|
| Cp,gas | 1068.83 | J/mol×K | 806.09 | Joback Calculated Property |
| Cp,gas | 1089.32 | J/mol×K | 836.45 | Joback Calculated Property |
| Cp,gas | 1108.77 | J/mol×K | 866.81 | Joback Calculated Property |
| Cp,gas | 1127.22 | J/mol×K | 897.16 | Joback Calculated Property |
| Cp,gas | 1144.72 | J/mol×K | 927.52 | Joback Calculated Property |
| Cp,gas | 1161.30 | J/mol×K | 957.88 | Joback Calculated Property |
| Cp,gas | 1177.00 | J/mol×K | 988.24 | Joback Calculated Property |
| η | [0.0000420; 0.0011170] | Pa×s | [416.05; 806.09] |
|
| η | 0.0011170 | Pa×s | 416.05 | Joback Calculated Property |
| η | 0.0004469 | Pa×s | 481.06 | Joback Calculated Property |
| η | 0.0002224 | Pa×s | 546.06 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 611.07 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 676.08 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 741.08 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 806.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, hexadecyl ester.
Sources
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