- InChI
- InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
- InChI Key
- IKDIJXDZEYHZSD-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- O=COCCc1ccccc1
- Molecular Weight1
- 150.17
- CAS
- 104-62-1
- Other Names
-
- Phenethyl alcohol, formate
- «beta»-Phenethyl formate
- «beta»-Phenylethyl formate
- Benzeneethanol, formate
- Benzylcarbinyl formate
- Phenethyl formate
- 2-Phenethyl formate
- 2-Phenylethyl formate
- Formic acid, phenethyl ester
- Phenylethyl formate
- 2-Fenylethylester kyseliny mravenci
- NSC 404456
- 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.
- I : 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 | 0.4901 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [1138.50; 1185.00] |
|
|
| Inp | 1156.00 | NIST | |
| Inp | 1138.50 | NIST | |
| Inp | 1141.90 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| I | [1750.00; 1806.00] |
|
|
| I | 1750.00 | NIST | |
| I | 1775.00 | NIST | |
| I | 1778.70 | NIST | |
| I | 1768.00 | NIST | |
| I | 1784.00 | NIST | |
| I | Outlier 1806.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1752.00 | NIST | |
| I | 1773.00 | NIST | |
| I | 1752.00 | NIST | |
| Tboil | 498.24 | K | Relay (1.0) Calculated Property |
| Tc | 710.77 | K | Relay (1.0) Calculated Property |
| Tfus | 230.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.45; 305.88] | J/mol×K | [489.72; 699.28] |
|
| Cp,gas | 245.45 | J/mol×K | 489.72 | Joback Calculated Property |
| Cp,gas | 257.43 | J/mol×K | 524.65 | Joback Calculated Property |
| Cp,gas | 268.59 | J/mol×K | 559.57 | Joback Calculated Property |
| Cp,gas | 278.97 | J/mol×K | 594.50 | Joback Calculated Property |
| Cp,gas | 288.62 | J/mol×K | 629.43 | Joback Calculated Property |
| Cp,gas | 297.57 | J/mol×K | 664.35 | Joback Calculated Property |
| Cp,gas | 305.88 | J/mol×K | 699.28 | Joback Calculated Property |
| η | [0.0003893; 0.0023023] | Pa×s | [276.31; 489.72] |
|
| η | 0.0023023 | Pa×s | 276.31 | Joback Calculated Property |
| η | 0.0014460 | Pa×s | 311.88 | Joback Calculated Property |
| η | 0.0009989 | Pa×s | 347.45 | Joback Calculated Property |
| η | 0.0007391 | Pa×s | 383.01 | Joback Calculated Property |
| η | 0.0005756 | Pa×s | 418.58 | Joback Calculated Property |
| η | 0.0004662 | Pa×s | 454.15 | Joback Calculated Property |
| η | 0.0003893 | Pa×s | 489.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2-phenylethyl ester.
Sources
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