- InChI
- InChI=1S/C9H14O/c1-4-8-6-7-9(3,5-2)10-8/h4-5,8H,1-2,6-7H2,3H3
- InChI Key
- BYXCYPBKZWWZIN-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- C=CC1CCC(C)(C=C)O1
- Molecular Weight1
- 138.21
- CAS
- 104188-15-0
- 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).
- 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 | 0.2631 | Relay (1.0) Calculated Property | |
| ΔfG° | 137.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [912.00; 915.70] |
|
|
| Inp | 914.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 915.70 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 915.70 | NIST | |
| Inp | 912.00 | NIST | |
| Tboil | 417.72 | K | Relay (1.0) Calculated Property |
| Tc | 608.70 | K | Relay (1.0) Calculated Property |
| Tfus | 184.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.79; 340.88] | J/mol×K | [436.48; 644.65] |
|
| Cp,gas | 256.79 | J/mol×K | 436.48 | Joback Calculated Property |
| Cp,gas | 273.41 | J/mol×K | 471.18 | Joback Calculated Property |
| Cp,gas | 288.84 | J/mol×K | 505.87 | Joback Calculated Property |
| Cp,gas | 303.20 | J/mol×K | 540.57 | Joback Calculated Property |
| Cp,gas | 316.58 | J/mol×K | 575.26 | Joback Calculated Property |
| Cp,gas | 329.11 | J/mol×K | 609.96 | Joback Calculated Property |
| Cp,gas | 340.88 | J/mol×K | 644.65 | Joback Calculated Property |
Similar Compounds
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Sources
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