- InChI
- InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-15-18-24-21(22)19-16-13-14-17-20(19)23-2/h13-14,16-17H,3-11,18H2,1-2H3
- InChI Key
- AHLTWCUDPVNCME-UHFFFAOYSA-N
- Formula
- C21H30O3
- SMILES
- CCCCCCCCCCC#CCOC(=O)c1ccccc1OC
- Molecular Weight1
- 330.46
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 92.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.65 | Crippen Calculated Property | |
| logPoct/wat | 5.386 | Crippen Calculated Property | |
| McVol | 287.700 | ml/mol | McGowan Calculated Property |
| Pc | 1342.74 | kPa | Joback Calculated Property |
| Inp | 2515.80 | NIST | |
| Tboil | 819.25 | K | Joback Calculated Property |
| Tc | 1023.62 | K | Joback Calculated Property |
| Tfus | 565.86 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.52; 954.21] | J/mol×K | [819.25; 1023.62] | 
|
| Cp,gas | 866.52 | J/mol×K | 819.25 | Joback Calculated Property |
| Cp,gas | 883.93 | J/mol×K | 853.31 | Joback Calculated Property |
| Cp,gas | 900.19 | J/mol×K | 887.37 | Joback Calculated Property |
| Cp,gas | 915.32 | J/mol×K | 921.44 | Joback Calculated Property |
| Cp,gas | 929.36 | J/mol×K | 955.50 | Joback Calculated Property |
| Cp,gas | 942.31 | J/mol×K | 989.56 | Joback Calculated Property |
| Cp,gas | 954.21 | J/mol×K | 1023.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, tridec-2-ynyl ester.
Sources
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