- InChI
- InChI=1S/C13H16O3/c1-4-9-15-13(14)16-12-7-5-11(6-8-12)10(2)3/h4-8,10H,1,9H2,2-3H3
- InChI Key
- HGLOCQRSJASENM-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- C=CCOC(=O)Oc1ccc(C(C)C)cc1
- Molecular Weight1
- 220.26
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6215 | Relay (... Calculated Property | |
| ΔfG° | -92.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -4.14 | Relay (... Calculated Property | |
| logPoct/wat | 3.511 | Crippen Calculated Property | |
| McVol | 179.280 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | 1591.00 | NIST | |
| Tboil | 551.36 | K | Relay (... Calculated Property |
| Tc | 739.28 | K | Relay (... Calculated Property |
| Tfus | 256.65 | K | Relay (... Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.15; 525.57] | J/mol×K | [623.45; 833.19] | 
|
| Cp,gas | 448.15 | J/mol×K | 623.45 | Joback Calculated Property |
| Cp,gas | 463.15 | J/mol×K | 658.41 | Joback Calculated Property |
| Cp,gas | 477.30 | J/mol×K | 693.36 | Joback Calculated Property |
| Cp,gas | 490.60 | J/mol×K | 728.32 | Joback Calculated Property |
| Cp,gas | 503.08 | J/mol×K | 763.28 | Joback Calculated Property |
| Cp,gas | 514.73 | J/mol×K | 798.23 | Joback Calculated Property |
| Cp,gas | 525.57 | J/mol×K | 833.19 | Joback Calculated Property |
| η | [0.0001273; 0.0014541] | Pa×s | [352.84; 623.45] |
|
| η | 0.0014541 | Pa×s | 352.84 | Joback Calculated Property |
| η | 0.0007699 | Pa×s | 397.94 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 443.04 | Joback Calculated Property |
| η | 0.0003070 | Pa×s | 488.15 | Joback Calculated Property |
| η | 0.0002179 | Pa×s | 533.25 | Joback Calculated Property |
| η | 0.0001631 | Pa×s | 578.35 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 623.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, allyl 4-isopropylphenyl ester.
Sources
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