- InChI
- InChI=1S/C8H18O/c1-4-7(2)5-6-8(3)9/h7-9H,4-6H2,1-3H3
- InChI Key
- FYMBAYNKBWGEIK-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(C)CCC(C)O
- Molecular Weight1
- 130.23
- CAS
- 54630-50-1
- Other Names
-
- 5-Methyl-2-heptanol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.5993 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | 856.00 | NIST | |
| I | [1394.00; 1395.00] |
|
|
| I | 1394.00 | NIST | |
| I | 1395.00 | NIST | |
| Tboil | 445.05 ± 0.50 | K | NIST |
| Tc | 615.97 | K | Relay (1.0) Calculated Property |
| Tfus | 224.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.39; 356.45] | J/mol×K | [473.74; 639.93] |
|
| Cp,gas | 290.39 | J/mol×K | 473.74 | Joback Calculated Property |
| Cp,gas | 302.54 | J/mol×K | 501.44 | Joback Calculated Property |
| Cp,gas | 314.22 | J/mol×K | 529.14 | Joback Calculated Property |
| Cp,gas | 325.44 | J/mol×K | 556.84 | Joback Calculated Property |
| Cp,gas | 336.21 | J/mol×K | 584.53 | Joback Calculated Property |
| Cp,gas | 346.54 | J/mol×K | 612.23 | Joback Calculated Property |
| Cp,gas | 356.45 | J/mol×K | 639.93 | Joback Calculated Property |
| Cp,liquid | 296.20 | J/mol×K | 298.50 | NIST |
| η | [0.0001609; 0.3001577] | Pa×s | [210.74; 473.74] |
|
| η | 0.3001577 | Pa×s | 210.74 | Joback Calculated Property |
| η | 0.0290327 | Pa×s | 254.57 | Joback Calculated Property |
| η | 0.0055777 | Pa×s | 298.41 | Joback Calculated Property |
| η | 0.0016351 | Pa×s | 342.24 | Joback Calculated Property |
| η | 0.0006333 | Pa×s | 386.07 | Joback Calculated Property |
| η | 0.0002977 | Pa×s | 429.91 | Joback Calculated Property |
| η | 0.0001609 | Pa×s | 473.74 | Joback Calculated Property |
| ΔvapH | [47.20; 51.90] | kJ/mol | [396.50; 396.50] |
|
| ΔvapH | 51.90 | kJ/mol | 396.50 | NIST |
| ΔvapH | 47.20 | kJ/mol | 396.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [336.59; 470.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.67459e+01 | |||
| Coefficient B | -4.99895e+03 | |||
| Coefficient C | -3.28520e+01 | |||
| Temperature range, min. | 336.59 | |||
| Temperature range, max. | 470.04 | |||
| Pvap | 1.33 | kPa | 336.59 | Calculated Property |
| Pvap | 2.87 | kPa | 351.42 | Calculated Property |
| Pvap | 5.76 | kPa | 366.25 | Calculated Property |
| Pvap | 10.92 | kPa | 381.07 | Calculated Property |
| Pvap | 19.62 | kPa | 395.90 | Calculated Property |
| Pvap | 33.68 | kPa | 410.73 | Calculated Property |
| Pvap | 55.50 | kPa | 425.56 | Calculated Property |
| Pvap | 88.19 | kPa | 440.38 | Calculated Property |
| Pvap | 135.65 | kPa | 455.21 | Calculated Property |
| Pvap | 202.66 | kPa | 470.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptanol, 5-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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