- InChI
- InChI=1S/C9H20O/c1-5-6-7-9(4,10)8(2)3/h8,10H,5-7H2,1-4H3
- InChI Key
- JIEGVNXCNNWVPH-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCC(C)(O)C(C)C
- Molecular Weight1
- 144.25
- CAS
- 19549-71-4
- Other Names
-
- 2,3-Dimethyl-3-heptanol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -111.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.584 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Tboil | 446.15 ± 4.00 | K | NIST |
| Tc | 664.90 | K | Joback Calculated Property |
| Tfus | 239.43 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.46; 410.41] | J/mol×K | [493.83; 664.90] | 
|
| Cp,gas | 337.46 | J/mol×K | 493.83 | Joback Calculated Property |
| Cp,gas | 351.13 | J/mol×K | 522.34 | Joback Calculated Property |
| Cp,gas | 364.17 | J/mol×K | 550.85 | Joback Calculated Property |
| Cp,gas | 376.59 | J/mol×K | 579.36 | Joback Calculated Property |
| Cp,gas | 388.42 | J/mol×K | 607.88 | Joback Calculated Property |
| Cp,gas | 399.69 | J/mol×K | 636.39 | Joback Calculated Property |
| Cp,gas | 410.41 | J/mol×K | 664.90 | Joback Calculated Property |
| η | [0.0001397; 0.1242076] | Pa×s | [239.43; 493.83] |
|
| η | 0.1242076 | Pa×s | 239.43 | Joback Calculated Property |
| η | 0.0170986 | Pa×s | 281.83 | Joback Calculated Property |
| η | 0.0039538 | Pa×s | 324.23 | Joback Calculated Property |
| η | 0.0012828 | Pa×s | 366.63 | Joback Calculated Property |
| η | 0.0005256 | Pa×s | 409.03 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 451.43 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 493.83 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [344.72; 469.65] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65419e+01 | |||
| Coefficient B | -4.53922e+03 | |||
| Coefficient C | -6.54580e+01 | |||
| Temperature range, min. | 344.72 | |||
| Temperature range, max. | 469.65 | |||
| Pvap | 1.33 | kPa | 344.72 | Calculated Property |
| Pvap | 2.88 | kPa | 358.60 | Calculated Property |
| Pvap | 5.80 | kPa | 372.48 | Calculated Property |
| Pvap | 10.99 | kPa | 386.36 | Calculated Property |
| Pvap | 19.75 | kPa | 400.24 | Calculated Property |
| Pvap | 33.89 | kPa | 414.13 | Calculated Property |
| Pvap | 55.79 | kPa | 428.01 | Calculated Property |
| Pvap | 88.53 | kPa | 441.89 | Calculated Property |
| Pvap | 135.94 | kPa | 455.77 | Calculated Property |
| Pvap | 202.67 | kPa | 469.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanol, 2,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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