- InChI
- InChI=1S/C9H16O2/c1-4-9(3)6-5-8(11-9)7(2)10/h4,7-8,10H,1,5-6H2,2-3H3
- InChI Key
- KXGRICWYAXBDDZ-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=CC1(C)CCC(C(C)O)O1
- Molecular Weight1
- 156.22
- CAS
- 104188-13-8
- 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 | 0.4873 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.491 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 3239.34 | kPa | Joback Calculated Property |
| Inp | [1065.60; 1065.60] |
|
|
| Inp | 1065.60 | NIST | |
| Inp | 1065.60 | NIST | |
| Tboil | 476.08 | K | Relay (1.0) Calculated Property |
| Tc | 661.72 | K | Relay (1.0) Calculated Property |
| Tfus | 285.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.77; 407.96] | J/mol×K | [531.54; 727.42] |
|
| Cp,gas | 333.77 | J/mol×K | 531.54 | Joback Calculated Property |
| Cp,gas | 347.95 | J/mol×K | 564.19 | Joback Calculated Property |
| Cp,gas | 361.29 | J/mol×K | 596.83 | Joback Calculated Property |
| Cp,gas | 373.87 | J/mol×K | 629.48 | Joback Calculated Property |
| Cp,gas | 385.79 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 397.12 | J/mol×K | 694.77 | Joback Calculated Property |
| Cp,gas | 407.96 | J/mol×K | 727.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furanmethanol, 5-ethenyltetrahydro-«alpha»,5-dimethyl-.
Sources
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