- InChI
- InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
- InChI Key
- XNCRUNXWPDJHGV-BQYQJAHWSA-N
- Formula
- C10H10O2
- SMILES
- CC(=Cc1ccccc1)C(=O)O
- Molecular Weight1
- 162.19
- CAS
- 1199-77-5
- Other Names
-
- 2-Propenoic acid, 2-methyl-3-phenyl-
- Cinnamic acid, «alpha»-methyl-
- 2-Methyl-3-phenyl-2-propenoic acid
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.6217 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.174 | Crippen Calculated Property | |
| McVol | 131.140 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Tboil | 562.24 | K | Relay (1.0) Calculated Property |
| Tc | 792.06 | K | Relay (1.0) Calculated Property |
| Tfus | 369.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 78.50 | kJ/mol | 479.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.13; 396.64] | 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 | -4.93800e+01 | |||
| Coefficient B | 9.45620e-01 | |||
| Coefficient C | -7.10100e-04 | |||
| Coefficient D | 2.10500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 278.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 330.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 383.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 396.64 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Methylcinnamic acid.
Sources
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