- InChI
- InChI=1S/C9H18O/c1-2-3-6-9(10)7-4-5-8-9/h10H,2-8H2,1H3
- InChI Key
- GQTUSXZITATQAM-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCCC1(O)CCCC1
- Molecular Weight1
- 142.24
- CAS
- 1462-97-1
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5836 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.482 | Crippen Calculated Property | |
| McVol | 132.680 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Tboil | 465.40 ± 1.50 | K | NIST |
| Tc | 668.91 | K | Relay (1.0) Calculated Property |
| Tfus | 253.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.41; 397.22] | J/mol×K | [513.02; 702.07] | 
|
| Cp,gas | 320.41 | J/mol×K | 513.02 | Joback Calculated Property |
| Cp,gas | 335.08 | J/mol×K | 544.53 | Joback Calculated Property |
| Cp,gas | 348.89 | J/mol×K | 576.04 | Joback Calculated Property |
| Cp,gas | 361.93 | J/mol×K | 607.55 | Joback Calculated Property |
| Cp,gas | 374.27 | J/mol×K | 639.05 | Joback Calculated Property |
| Cp,gas | 386.01 | J/mol×K | 670.56 | Joback Calculated Property |
| Cp,gas | 397.22 | J/mol×K | 702.07 | Joback Calculated Property |
| ΔvapH | 63.50 | kJ/mol | 412.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Butylcyclopentanol.
Sources
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