- InChI
- InChI=1S/C18H22O3/c1-13(2)6-9-17(12-14(3)4)21-18(19)15-7-10-16(20-5)11-8-15/h7-8,10-11,14,17H,1,12H2,2-5H3
- InChI Key
- BNVUAFGNMYVRML-UHFFFAOYSA-N
- Formula
- C18H22O3
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(
OC)cc1 - Molecular Weight1
- 286.37
- 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 | 0.6541 | Relay (... Calculated Property | |
| ΔfG° | 141.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | Relay (... Calculated Property |
| log10WS | -4.83 | Relay (... Calculated Property | |
| logPoct/wat | 3.846 | Crippen Calculated Property | |
| McVol | 241.130 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Inp | [2044.00; 2044.00] |
|
|
| Inp | 2044.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Tboil | 597.88 | K | Relay (... Calculated Property |
| Tc | 799.49 | K | Relay (... Calculated Property |
| Tfus | 324.23 | K | Relay (... Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.11; 754.52] | J/mol×K | [746.29; 968.15] |
|
| Cp,gas | 669.11 | J/mol×K | 746.29 | Joback Calculated Property |
| Cp,gas | 686.17 | J/mol×K | 783.27 | Joback Calculated Property |
| Cp,gas | 702.07 | J/mol×K | 820.24 | Joback Calculated Property |
| Cp,gas | 716.83 | J/mol×K | 857.22 | Joback Calculated Property |
| Cp,gas | 730.47 | J/mol×K | 894.20 | Joback Calculated Property |
| Cp,gas | 743.03 | J/mol×K | 931.18 | Joback Calculated Property |
| Cp,gas | 754.52 | J/mol×K | 968.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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