- InChI
- InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
- InChI Key
- VAJVDSVGBWFCLW-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- OCCCc1ccccc1
- Molecular Weight1
- 136.19
- CAS
- 93842-54-7
- 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).
- 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 | 0.6492 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.611 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| I | 1980.00 | NIST | |
| Tboil | 518.39 | K | Relay (1.0) Calculated Property |
| Tc | 746.21 | K | Relay (1.0) Calculated Property |
| Tfus | 254.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.65; 383.79] | 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 | -3.39070e+01 | |||
| Coefficient B | 8.13900e-01 | |||
| Coefficient C | -5.27400e-04 | |||
| Coefficient D | 1.31200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 263.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 291.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 370.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 383.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0168187; 0.0001570] | Pa×s | [278.43; 503.55] |
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 | -1.45399e+01 | |||
| Coefficient B | 2.91089e+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. | 278.43 | |||
| Temperature range, max. | 503.55 | |||
| η | 0.0168187 | Pa×s | 278.43 | Calculated Property |
| η | 0.0071042 | Pa×s | 303.44 | Calculated Property |
| η | 0.0034217 | Pa×s | 328.46 | Calculated Property |
| η | 0.0018276 | Pa×s | 353.47 | Calculated Property |
| η | 0.0010605 | Pa×s | 378.48 | Calculated Property |
| η | 0.0006583 | Pa×s | 403.50 | Calculated Property |
| η | 0.0004321 | Pa×s | 428.51 | Calculated Property |
| η | 0.0002971 | Pa×s | 453.53 | Calculated Property |
| η | 0.0002124 | Pa×s | 478.54 | Calculated Property |
| η | 0.0001570 | Pa×s | 503.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylpropanol.
Sources
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