- InChI
- InChI=1S/C10H10O/c1-9-4-2-5-10(8-9)6-3-7-11/h2-8H,1H3/b6-3-
- InChI Key
- SJLLZWMNPJCLBC-UTCJRWHESA-N
- Formula
- C10H10O
- SMILES
- Cc1cccc(C=CC=O)c1
- Molecular Weight1
- 146.19
- 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 | 0.4169 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.207 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Inp | 1265.00 | NIST | |
| Tboil | 522.35 | K | Relay (1.0) Calculated Property |
| Tc | 744.21 | K | Relay (1.0) Calculated Property |
| Tfus | 256.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.82; 373.87] | 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 | -2.85900e+01 | |||
| Coefficient B | 8.09920e-01 | |||
| Coefficient C | -5.61160e-04 | |||
| Coefficient D | 1.53700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 153.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 260.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 361.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 373.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022976; 0.0002281] | Pa×s | [278.32; 513.65] |
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 | -1.11171e+01 | |||
| Coefficient B | 1.40307e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 278.32 | |||
| Temperature range, max. | 513.65 | |||
| η | 0.0022976 | Pa×s | 278.32 | Calculated Property |
| η | 0.0014902 | Pa×s | 304.47 | Calculated Property |
| η | 0.0010351 | Pa×s | 330.62 | Calculated Property |
| η | 0.0007584 | Pa×s | 356.76 | Calculated Property |
| η | 0.0005798 | Pa×s | 382.91 | Calculated Property |
| η | 0.0004587 | Pa×s | 409.06 | Calculated Property |
| η | 0.0003733 | Pa×s | 435.21 | Calculated Property |
| η | 0.0003109 | Pa×s | 461.35 | Calculated Property |
| η | 0.0002641 | Pa×s | 487.50 | Calculated Property |
| η | 0.0002281 | Pa×s | 513.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Z-3-Methylcinnamaldehyde.
Sources
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