- InChI
- InChI=1S/C17H14O4/c1-2-12-19-17(18)21-16-10-8-15(9-11-16)20-13-14-6-4-3-5-7-14/h1,3-11H,12-13H2
- InChI Key
- GSOABTQNZZAHGE-UHFFFAOYSA-N
- Formula
- C17H14O4
- SMILES
-
C#CCOC(=O)Oc1ccc(OCc2ccccc2)cc
1 - Molecular Weight1
- 282.29
- 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 | 0.7260 | Relay (... Calculated Property | |
| ΔfG° | 86.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -4.80 | Relay (... Calculated Property | |
| logPoct/wat | 3.414 | Crippen Calculated Property | |
| McVol | 213.450 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | 2335.00 | NIST | |
| Tboil | 667.30 | K | Relay (... Calculated Property |
| Tc | 873.30 | K | Relay (... Calculated Property |
| Tfus | 332.90 | K | Relay (... Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.23; 642.17] | J/mol×K | [757.95; 995.17] | 
|
| Cp,gas | 574.23 | J/mol×K | 757.95 | Joback Calculated Property |
| Cp,gas | 588.54 | J/mol×K | 797.49 | Joback Calculated Property |
| Cp,gas | 601.62 | J/mol×K | 837.02 | Joback Calculated Property |
| Cp,gas | 613.50 | J/mol×K | 876.56 | Joback Calculated Property |
| Cp,gas | 624.21 | J/mol×K | 916.10 | Joback Calculated Property |
| Cp,gas | 633.76 | J/mol×K | 955.63 | Joback Calculated Property |
| Cp,gas | 642.17 | J/mol×K | 995.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propargyl 4-benzyloxyphenyl ester.
Sources
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