- InChI
- InChI=1S/C9H20O/c1-5-6-7-8(10)9(2,3)4/h8,10H,5-7H2,1-4H3
- InChI Key
- QENWAAAGDINHGE-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCC(O)C(C)(C)C
- Molecular Weight1
- 144.25
- CAS
- 19549-70-3
- Other Names
-
- 2,2-Dimethyl-3-heptanol
- 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).
- Pvap : Vapor 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 | 0.5833 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.584 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | [814.00; 814.00] |
|
|
| Inp | 814.00 | NIST | |
| Inp | 814.00 | NIST | |
| Tboil | 444.73 | K | Relay (1.0) Calculated Property |
| Tc | 632.77 | K | Relay (1.0) Calculated Property |
| Tfus | 280.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.55; 410.51] | J/mol×K | [494.03; 665.17] |
|
| Cp,gas | 337.55 | J/mol×K | 494.03 | Joback Calculated Property |
| Cp,gas | 351.23 | J/mol×K | 522.55 | Joback Calculated Property |
| Cp,gas | 364.27 | J/mol×K | 551.08 | Joback Calculated Property |
| Cp,gas | 376.69 | J/mol×K | 579.60 | Joback Calculated Property |
| Cp,gas | 388.52 | J/mol×K | 608.12 | Joback Calculated Property |
| Cp,gas | 399.79 | J/mol×K | 636.65 | Joback Calculated Property |
| Cp,gas | 410.51 | J/mol×K | 665.17 | Joback Calculated Property |
| η | [0.0001394; 0.1242076] | Pa×s | [239.43; 494.03] |
|
| η | 0.1242076 | Pa×s | 239.43 | Joback Calculated Property |
| η | 0.0170760 | Pa×s | 281.86 | Joback Calculated Property |
| η | 0.0039458 | Pa×s | 324.30 | Joback Calculated Property |
| η | 0.0012798 | Pa×s | 366.73 | Joback Calculated Property |
| η | 0.0005243 | Pa×s | 409.16 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 451.60 | Joback Calculated Property |
| η | 0.0001394 | Pa×s | 494.03 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [347.80; 494.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49191e+01 | |||
| Coefficient B | -4.11543e+03 | |||
| Coefficient C | -6.65280e+01 | |||
| Temperature range, min. | 347.80 | |||
| Temperature range, max. | 494.88 | |||
| Pvap | 1.33 | kPa | 347.80 | Calculated Property |
| Pvap | 2.98 | kPa | 364.14 | Calculated Property |
| Pvap | 6.12 | kPa | 380.48 | Calculated Property |
| Pvap | 11.70 | kPa | 396.83 | Calculated Property |
| Pvap | 21.05 | kPa | 413.17 | Calculated Property |
| Pvap | 35.92 | kPa | 429.51 | Calculated Property |
| Pvap | 58.54 | kPa | 445.85 | Calculated Property |
| Pvap | 91.64 | kPa | 462.20 | Calculated Property |
| Pvap | 138.44 | kPa | 478.54 | Calculated Property |
| Pvap | 202.66 | kPa | 494.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanol, 2,2-dimethyl-.
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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