- InChI
- InChI=1S/C8H18O/c1-3-4-5-6-8(2)7-9/h8-9H,3-7H2,1-2H3
- InChI Key
- QZESEQBMSFFHRY-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCCC(C)CO
- Molecular Weight1
- 130.23
- 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).
- 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 | 0.6553 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | 1022.00 | NIST | |
| Tboil | 453.31 | K | Relay (1.0) Calculated Property |
| Tc | 641.02 | K | Relay (1.0) Calculated Property |
| Tfus | 203.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.32; 354.88] | J/mol×K | [474.38; 637.36] | 
|
| Cp,gas | 290.32 | J/mol×K | 474.38 | Joback Calculated Property |
| Cp,gas | 302.17 | J/mol×K | 501.54 | Joback Calculated Property |
| Cp,gas | 313.57 | J/mol×K | 528.71 | Joback Calculated Property |
| Cp,gas | 324.52 | J/mol×K | 555.87 | Joback Calculated Property |
| Cp,gas | 335.06 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 345.17 | J/mol×K | 610.20 | Joback Calculated Property |
| Cp,gas | 354.88 | J/mol×K | 637.36 | Joback Calculated Property |
| η | [0.0001685; 0.1178389] | Pa×s | [225.74; 474.38] |
|
| η | 0.1178389 | Pa×s | 225.74 | Joback Calculated Property |
| η | 0.0169620 | Pa×s | 267.18 | Joback Calculated Property |
| η | 0.0041090 | Pa×s | 308.62 | Joback Calculated Property |
| η | 0.0013924 | Pa×s | 350.06 | Joback Calculated Property |
| η | 0.0005933 | Pa×s | 391.50 | Joback Calculated Property |
| η | 0.0002977 | Pa×s | 432.94 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 474.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanol, 2-methyl.
Sources
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