![Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-, acetate](/cid/89-865-4/Phenol-4-3-acetyloxy-1-propenyl-2-methoxy-acetate.png "Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-, acetate")
- InChI
- InChI=1S/C14H16O5/c1-10(15)18-8-4-5-12-6-7-13(19-11(2)16)14(9-12)17-3/h4-7,9H,8H2,1-3H3/b5-4-
- InChI Key
- KCODNVFFXXYJPA-PLNGDYQASA-N
- Formula
- C14H16O5
- SMILES
- COc1cc(C=CCOC(C)=O)ccc1OC(C)=O
- Molecular Weight1
- 264.27
- CAS
- 38209-46-0
- Other Names
-
- Coniferyl alcohol, diacetate
- 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 | 0.7176 | Relay (1.0) Calculated Property | |
| ΔfG° | -332.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 200.810 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Inp | [2030.40; 2030.40] |
|
|
| Inp | 2030.40 | NIST | |
| Inp | 2030.40 | NIST | |
| Tboil | 606.73 | K | Relay (1.0) Calculated Property |
| Tc | 798.50 | K | Relay (1.0) Calculated Property |
| Tfus | 350.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.46; 608.40] | J/mol×K | [735.52; 947.64] |
|
| Cp,gas | 541.46 | J/mol×K | 735.52 | Joback Calculated Property |
| Cp,gas | 554.85 | J/mol×K | 770.87 | Joback Calculated Property |
| Cp,gas | 567.35 | J/mol×K | 806.23 | Joback Calculated Property |
| Cp,gas | 578.96 | J/mol×K | 841.58 | Joback Calculated Property |
| Cp,gas | 589.67 | J/mol×K | 876.93 | Joback Calculated Property |
| Cp,gas | 599.48 | J/mol×K | 912.28 | Joback Calculated Property |
| Cp,gas | 608.40 | J/mol×K | 947.64 | Joback Calculated Property |
| η | [0.0000797; 0.0005570] | Pa×s | [460.47; 735.52] |
|
| η | 0.0005570 | Pa×s | 460.47 | Joback Calculated Property |
| η | 0.0003478 | Pa×s | 506.31 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 552.15 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 598.00 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 643.84 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 689.68 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 735.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-, acetate.
Sources
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