- InChI
- InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
- InChI Key
- UMJJFEIKYGFCAT-UHFFFAOYSA-N
- Formula
- C9H8O
- SMILES
- O=C1Cc2ccccc2C1
- Molecular Weight1
- 132.16
- CAS
- 615-13-4
- Other Names
-
- 2-Indanone
- 1,3-Dihydro-2H-inden-2-one
- «beta»-Hydrindone
- Indanone
- indan-2-one
- 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).
- 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).
- 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 | 0.4089 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.29 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 78.30 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 56.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.354 | Crippen Calculated Property | |
| McVol | 104.620 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Tboil | 514.30 | K | Relay (1.0) Calculated Property |
| Tc | 764.87 | K | Relay (1.0) Calculated Property |
| Tfus | 331.00 ± 3.00 | K | NIST |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 16.89 | kJ/mol | 330.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.36; 334.29] | 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 | -4.46500e+01 | |||
| Coefficient B | 7.29500e-01 | |||
| Coefficient C | -4.61560e-04 | |||
| Coefficient D | 1.11000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 160.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 223.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 249.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 272.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 291.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 307.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 322.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 334.29 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Inden-2-one, 1,3-dihydro-.
Sources
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