- InChI
- InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
- InChI Key
- WBYWAXJHAXSJNI-VOTSOKGWSA-N
- Formula
- C9H8O2
- SMILES
- O=C(O)C=Cc1ccccc1
- Molecular Weight1
- 148.16
- CAS
- 140-10-3
- Other Names
-
- (2E)-3-Phenyl-2-propenoic acid
- (E)-3-Phenyl-2-propenoic acid
- (E)-3-Phenylacrylic acid
- (E)-cinnamic acid
- 2-Propenoic acid, 3-phenyl-, (2E)-
- 2-propenoic acid, 3-phenyl-, (E)-
- Cinnamic acid
- NSC 44010
- cinnamic acid, (E)-
- trans-3-Phenyl-2-propenoic acid
- trans-3-phenylacrylic acid
- trans-3-phenylpropenoic acid
- trans-«beta»-Carboxystyrene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Pvap : Vapor 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6389 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-4359.30; -4344.70] | kJ/mol |
|
| ΔcH°solid | -4359.30 | kJ/mol | NIST |
| ΔcH°solid | -4348.00 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -4344.70 | kJ/mol | NIST |
| ΔfG° | -126.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-340.00; -325.30] | kJ/mol |
|
| ΔfH°solid | -325.30 | kJ/mol | NIST |
| ΔfH°solid | -337.00 | kJ/mol | NIST |
| ΔfH°solid | -340.00 | kJ/mol | NIST |
| ΔfusH° | 23.45 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 107.10 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 83.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 ± 0.05 | eV | NIST |
| log10WS | -1.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.784 | Crippen Calculated Property | |
| McVol | 117.050 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1462.00] |
|
|
| Inp | 1435.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1450.90 | NIST | |
| Inp | 1393.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Inp | 1394.00 | NIST | |
| Inp | 1457.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1393.00 | NIST | |
| Inp | 1454.00 | NIST | |
| I | [2804.00; 2844.00] |
|
|
| I | 2835.00 | NIST | |
| I | Outlier 2804.00 | NIST | |
| I | 2822.00 | NIST | |
| I | 2842.00 | NIST | |
| I | 2844.00 | NIST | |
| I | 2827.00 | NIST | |
| I | 2832.00 | NIST | |
| Tboil | 573.20 | K | NIST |
| Tc | 771.28 | K | Relay (1.0) Calculated Property |
| Tfus | 406.15 | K | Solid Liquid Phase Equilibrium of trans-Cinnamic Acid in Several Alcohols: Measurements and Thermodynamic Modeling |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 197.50 | J/mol×K | 323.00 | NIST |
| ΔfusH | [22.21; 22.63] | kJ/mol | [404.80; 406.20] |
|
| ΔfusH | 22.60 | kJ/mol | 404.80 | NIST |
| ΔfusH | 22.21 | kJ/mol | 406.10 | NIST |
| ΔfusH | 22.63 | kJ/mol | 406.15 | NIST |
| ΔfusH | 22.63 | kJ/mol | 406.20 | NIST |
| ΔvapH | 73.90 | kJ/mol | 501.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.77; 345.32] | 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 | -4.87800e+01 | |||
| Coefficient B | 8.50700e-01 | |||
| Coefficient C | -6.53400e-04 | |||
| Coefficient D | 1.96800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 213.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 267.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 306.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 321.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 333.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008286; 0.0002088] | Pa×s | [406.15; 571.32] |
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 | -1.18637e+01 | |||
| Coefficient B | 1.93648e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 406.15 | |||
| Temperature range, max. | 571.32 | |||
| η | 0.0008286 | Pa×s | 406.15 | Calculated Property |
| η | 0.0006742 | Pa×s | 424.50 | Calculated Property |
| η | 0.0005581 | Pa×s | 442.85 | Calculated Property |
| η | 0.0004690 | Pa×s | 461.21 | Calculated Property |
| η | 0.0003994 | Pa×s | 479.56 | Calculated Property |
| η | 0.0003441 | Pa×s | 497.91 | Calculated Property |
| η | 0.0002997 | Pa×s | 516.26 | Calculated Property |
| η | 0.0002635 | Pa×s | 534.61 | Calculated Property |
| η | 0.0002336 | Pa×s | 552.97 | Calculated Property |
| η | 0.0002088 | Pa×s | 571.32 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 100.55] | kPa | [400.70; 573.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.87520e+01 | |||
| Coefficient B | -7.64878e+03 | |||
| Coefficient C | -3.21180e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 400.70 | |||
| Temperature range, max. | 573.00 | |||
| Pvap | 0.14 | kPa | 400.70 | Calculated Property |
| Pvap | 0.38 | kPa | 419.84 | Calculated Property |
| Pvap | 0.95 | kPa | 438.99 | Calculated Property |
| Pvap | 2.22 | kPa | 458.13 | Calculated Property |
| Pvap | 4.81 | kPa | 477.28 | Calculated Property |
| Pvap | 9.76 | kPa | 496.42 | Calculated Property |
| Pvap | 18.74 | kPa | 515.57 | Calculated Property |
| Pvap | 34.24 | kPa | 534.71 | Calculated Property |
| Pvap | 59.85 | kPa | 553.86 | Calculated Property |
| Pvap | 100.55 | kPa | 573.00 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cinnamic acid.
Mixtures
- Carbon dioxide + trans-Cinnamic acid
- trans-Cinnamic acid + Norflurane
- Carbon dioxide + trans-Cinnamic acid + Ethanol
- Carbon dioxide + trans-Cinnamic acid + Ethyl Acetate
- Carbon dioxide + trans-Cinnamic acid + Pentane
- trans-Cinnamic acid + Methyl Alcohol
- trans-Cinnamic acid + Ethanol
- 1-Propanol + trans-Cinnamic acid
- trans-Cinnamic acid + 1-Butanol
- 2-Propanol + trans-Cinnamic acid
- trans-Cinnamic acid + 1-Propanol, 2-methyl-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of cinnamic acid in supercritical carbon dioxide and subcritical 1,1,1,2-tetrafluoroethane: Experimental data and modelling
- Solid Liquid Phase Equilibrium of trans-Cinnamic Acid in Several Alcohols: Measurements and Thermodynamic Modeling
- Trans-Cinnamic Acid Solubility Enhancement in the Presence of Ethanol As a Supercritical CO2 Cosolvent
- Joback Method
- McGowan Method
- NIST Webbook
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