- InChI
- InChI=1S/C9H12O/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8,10H,1-2H3
- InChI Key
- SPNHUMWMKXWVIU-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- Cc1cccc(C(C)O)c1
- Molecular Weight1
- 136.19
- CAS
- 25675-28-9
- 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).
- 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 | 0.5628 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.048 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Tboil | 470.27 | K | Relay (1.0) Calculated Property |
| Tc | 703.09 | K | Relay (1.0) Calculated Property |
| Tfus | 270.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.89; 381.29] | 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 | -2.12900e+01 | |||
| Coefficient B | 7.60340e-01 | |||
| Coefficient C | -4.63560e-04 | |||
| Coefficient D | 1.05800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 153.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 289.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 334.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 352.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 368.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 381.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0169073; 0.0001359] | Pa×s | [275.95; 510.43] |
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 | -1.45799e+01 | |||
| Coefficient B | 2.89745e+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. | 275.95 | |||
| Temperature range, max. | 510.43 | |||
| η | 0.0169073 | Pa×s | 275.95 | Calculated Property |
| η | 0.0068342 | Pa×s | 302.00 | Calculated Property |
| η | 0.0031900 | Pa×s | 328.06 | Calculated Property |
| η | 0.0016656 | Pa×s | 354.11 | Calculated Property |
| η | 0.0009507 | Pa×s | 380.16 | Calculated Property |
| η | 0.0005831 | Pa×s | 406.22 | Calculated Property |
| η | 0.0003794 | Pa×s | 432.27 | Calculated Property |
| η | 0.0002592 | Pa×s | 458.32 | Calculated Property |
| η | 0.0001845 | Pa×s | 484.37 | Calculated Property |
| η | 0.0001359 | Pa×s | 510.43 | Calculated Property |
Similar Compounds
Find more compounds similar to C9H12O.
Sources
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