- InChI
- InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-11-12-16-23-20(21)18-14-13-15-19(17-18)22-2/h13-15,17H,3,6-12,16H2,1-2H3
- InChI Key
- OYYUOQHWUGTEQY-UHFFFAOYSA-N
- Formula
- C20H28O3
- SMILES
-
CCC#CCCCCCCCCOC(=O)c1cccc(OC)c
1 - Molecular Weight1
- 316.43
- 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 | 0.8715 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.996 | Crippen Calculated Property | |
| McVol | 273.610 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | [2465.50; 2465.50] |
|
|
| Inp | 2465.50 | NIST | |
| Inp | 2465.50 | NIST | |
| Tboil | 634.24 | K | Relay (1.0) Calculated Property |
| Tc | 847.58 | K | Relay (1.0) Calculated Property |
| Tfus | 295.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.999 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.92; 894.99] | J/mol×K | [796.37; 1001.55] |
|
| Cp,gas | 807.92 | J/mol×K | 796.37 | Joback Calculated Property |
| Cp,gas | 825.15 | J/mol×K | 830.57 | Joback Calculated Property |
| Cp,gas | 841.26 | J/mol×K | 864.76 | Joback Calculated Property |
| Cp,gas | 856.29 | J/mol×K | 898.96 | Joback Calculated Property |
| Cp,gas | 870.23 | J/mol×K | 933.16 | Joback Calculated Property |
| Cp,gas | 883.13 | J/mol×K | 967.35 | Joback Calculated Property |
| Cp,gas | 894.99 | J/mol×K | 1001.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Anisic acid, dodec-9-ynyl ester.
Sources
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