- InChI
- InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
- InChI Key
- AMHRXSOVSAQOKL-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- O=COCCCc1ccccc1
- Molecular Weight1
- 164.20
- 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 | 0.5311 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.792 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | [1309.00; 1309.00] |
|
|
| Inp | 1309.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Tboil | 513.20 | K | Relay (1.0) Calculated Property |
| Tc | 727.28 | K | Relay (1.0) Calculated Property |
| Tfus | 243.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.18; 408.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.51070e+01 | |||
| Coefficient B | 9.23200e-01 | |||
| Coefficient C | -6.64200e-04 | |||
| Coefficient D | 1.84800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 289.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 408.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024396; 0.0003952] | Pa×s | [287.58; 503.35] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.02619e+01 | |||
| Coefficient B | 1.22105e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 287.58 | |||
| Temperature range, max. | 503.35 | |||
| η | 0.0024396 | Pa×s | 287.58 | Calculated Property |
| η | 0.0017596 | Pa×s | 311.55 | Calculated Property |
| η | 0.0013298 | Pa×s | 335.53 | Calculated Property |
| η | 0.0010433 | Pa×s | 359.50 | Calculated Property |
| η | 0.0008437 | Pa×s | 383.48 | Calculated Property |
| η | 0.0006995 | Pa×s | 407.45 | Calculated Property |
| η | 0.0005922 | Pa×s | 431.43 | Calculated Property |
| η | 0.0005102 | Pa×s | 455.40 | Calculated Property |
| η | 0.0004462 | Pa×s | 479.38 | Calculated Property |
| η | 0.0003952 | Pa×s | 503.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3-phenylpropyl ester.
Sources
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