- InChI
- InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(22)20(2)3/h2,4-19H2,1,3H3
- InChI Key
- PAIQEFSJYGYULU-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
- C=C(C)C(=O)OCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 324.54
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.9915 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.977 | Crippen Calculated Property | |
| McVol | 309.890 | ml/mol | McGowan Calculated Property |
| Pc | 1013.59 | kPa | Joback Calculated Property |
| Inp | 2278.00 | NIST | |
| Tboil | 602.57 | K | Relay (1.0) Calculated Property |
| Tc | 781.21 | K | Relay (1.0) Calculated Property |
| Tfus | 301.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.208 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [942.96; 1047.27] | J/mol×K | [752.73; 927.79] | 
|
| Cp,gas | 942.96 | J/mol×K | 752.73 | Joback Calculated Property |
| Cp,gas | 962.63 | J/mol×K | 781.91 | Joback Calculated Property |
| Cp,gas | 981.34 | J/mol×K | 811.08 | Joback Calculated Property |
| Cp,gas | 999.14 | J/mol×K | 840.26 | Joback Calculated Property |
| Cp,gas | 1016.03 | J/mol×K | 869.44 | Joback Calculated Property |
| Cp,gas | 1032.07 | J/mol×K | 898.61 | Joback Calculated Property |
| Cp,gas | 1047.27 | J/mol×K | 927.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methacrylic acid, heptadecyl ester.
Sources
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