- InChI
- InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
- InChI Key
- ACBMYYVZWKYLIP-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCCC(C)(C)O
- Molecular Weight1
- 130.23
- CAS
- 625-25-2
- Other Names
-
- 2-Methyl-2-heptanol
- 2-methylheptan-2-ol
- dimethylpentylcarbinol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -117.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.90 ± 0.20 | kJ/mol | NIST |
| log10WS | [-1.72; -1.72] |
|
|
| log10WS | -1.72 | Aq. Sol... | |
| log10WS | -1.72 | Estimat... | |
| logPoct/wat | 2.338 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Inp | [879.90; 920.00] |
|
|
| Inp | Outlier 885.00 | NIST | |
| Inp | Outlier 879.90 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| I | [1265.00; 1280.00] |
|
|
| I | 1265.00 | NIST | |
| I | 1280.00 | NIST | |
| Tboil | 471.39 | K | Joback Calculated Property |
| Tc | 640.25 | K | Joback Calculated Property |
| Tfus | 222.95 | K | Aq. Sol... |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.85; 359.77] | J/mol×K | [471.39; 640.25] |
|
| Cp,gas | 292.85 | J/mol×K | 471.39 | Joback Calculated Property |
| Cp,gas | 305.37 | J/mol×K | 499.53 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 527.68 | Joback Calculated Property |
| Cp,gas | 328.71 | J/mol×K | 555.82 | Joback Calculated Property |
| Cp,gas | 339.57 | J/mol×K | 583.96 | Joback Calculated Property |
| Cp,gas | 349.91 | J/mol×K | 612.10 | Joback Calculated Property |
| Cp,gas | 359.77 | J/mol×K | 640.25 | Joback Calculated Property |
| Cp,liquid | 337.60 | J/mol×K | 298.50 | NIST |
| η | [0.0001803; 0.0742698] | Pa×s | [243.16; 471.39] |
|
| η | 0.0742698 | Pa×s | 243.16 | Joback Calculated Property |
| η | 0.0138116 | Pa×s | 281.20 | Joback Calculated Property |
| η | 0.0038351 | Pa×s | 319.24 | Joback Calculated Property |
| η | 0.0013989 | Pa×s | 357.27 | Joback Calculated Property |
| η | 0.0006196 | Pa×s | 395.31 | Joback Calculated Property |
| η | 0.0003166 | Pa×s | 433.35 | Joback Calculated Property |
| η | 0.0001803 | Pa×s | 471.39 | Joback Calculated Property |
| ΔvapH | [53.10; 55.00] | kJ/mol | [384.00; 386.50] |
|
| ΔvapH | 55.00 | kJ/mol | 384.00 | NIST |
| ΔvapH | 53.10 | kJ/mol | 386.50 | NIST |
| Pvap | [0.01; 0.35] | kPa | [275.40; 314.20] |
|
| Pvap | 0.01 | kPa | 275.40 | Measure... |
| Pvap | 0.02 | kPa | 278.40 | Measure... |
| Pvap | 0.02 | kPa | 281.20 | Measure... |
| Pvap | 0.03 | kPa | 284.20 | Measure... |
| Pvap | 0.04 | kPa | 287.20 | Measure... |
| Pvap | 0.05 | kPa | 290.20 | Measure... |
| Pvap | 0.06 | kPa | 293.20 | Measure... |
| Pvap | 0.08 | kPa | 296.20 | Measure... |
| Pvap | 0.11 | kPa | 299.30 | Measure... |
| Pvap | 0.14 | kPa | 302.30 | Measure... |
| Pvap | 0.18 | kPa | 305.20 | Measure... |
| Pvap | 0.23 | kPa | 308.20 | Measure... |
| Pvap | 0.28 | kPa | 311.30 | Measure... |
| Pvap | 0.35 | kPa | 314.20 | Measure... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [332.67; 456.17] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49721e+01 | |||
| Coefficient B | -3.48722e+03 | |||
| Coefficient C | -9.51910e+01 | |||
| Temperature range, min. | 332.67 | |||
| Temperature range, max. | 456.17 | |||
| Pvap | 1.33 | kPa | 332.67 | Calculated Property |
| Pvap | 2.97 | kPa | 346.39 | Calculated Property |
| Pvap | 6.10 | kPa | 360.11 | Calculated Property |
| Pvap | 11.67 | kPa | 373.84 | Calculated Property |
| Pvap | 21.00 | kPa | 387.56 | Calculated Property |
| Pvap | 35.85 | kPa | 401.28 | Calculated Property |
| Pvap | 58.45 | kPa | 415.00 | Calculated Property |
| Pvap | 91.53 | kPa | 428.73 | Calculated Property |
| Pvap | 138.36 | kPa | 442.45 | Calculated Property |
| Pvap | 202.67 | kPa | 456.17 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptanol, 2-methyl-.
Sources
- Crippen Method
- Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.