- InChI
- InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
- InChI Key
- IWTBVKIGCDZRPL-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCC(C)CCO
- Molecular Weight1
- 102.17
- CAS
- 20281-83-8
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5854 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.415 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Tboil | 426.20 | K | NIST |
| Tc | 607.70 | K | Relay (1.0) Calculated Property |
| Tfus | 177.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.350 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.81; 261.33] | J/mol×K | [428.62; 593.25] | 
|
| Cp,gas | 207.81 | J/mol×K | 428.62 | Joback Calculated Property |
| Cp,gas | 217.61 | J/mol×K | 456.06 | Joback Calculated Property |
| Cp,gas | 227.05 | J/mol×K | 483.50 | Joback Calculated Property |
| Cp,gas | 236.13 | J/mol×K | 510.93 | Joback Calculated Property |
| Cp,gas | 244.86 | J/mol×K | 538.37 | Joback Calculated Property |
| Cp,gas | 253.26 | J/mol×K | 565.81 | Joback Calculated Property |
| Cp,gas | 261.33 | J/mol×K | 593.25 | Joback Calculated Property |
| η | [0.0002393; 0.2179366] | Pa×s | [203.20; 428.62] |
|
| η | 0.2179366 | Pa×s | 203.20 | Joback Calculated Property |
| η | 0.0288590 | Pa×s | 240.77 | Joback Calculated Property |
| η | 0.0065958 | Pa×s | 278.34 | Joback Calculated Property |
| η | 0.0021415 | Pa×s | 315.91 | Joback Calculated Property |
| η | 0.0008831 | Pa×s | 353.48 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 391.05 | Joback Calculated Property |
| η | 0.0002393 | Pa×s | 428.62 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 325.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Pentanol, 3-methyl-, (.+/-.)-.
Sources
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