- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.13; 504.32] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.61570e+01 | |||
| Coefficient B | 1.02458e+00 | |||
| Coefficient C | -6.71200e-04 | |||
| Coefficient D | 1.77100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 383.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 465.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 486.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 504.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1242076; 0.0002058] | Pa×s | [239.43; 465.62] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.52664e+01 | |||
| Coefficient B | 3.15583e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 239.43 | |||
| Temperature range, max. | 465.62 | |||
| η | 0.1242076 | Pa×s | 239.43 | Calculated Property |
| η | 0.0355118 | Pa×s | 264.56 | Calculated Property |
| η | 0.0126167 | Pa×s | 289.69 | Calculated Property |
| η | 0.0052878 | Pa×s | 314.83 | Calculated Property |
| η | 0.0025202 | Pa×s | 339.96 | Calculated Property |
| η | 0.0013302 | Pa×s | 365.09 | Calculated Property |
| η | 0.0007623 | Pa×s | 390.22 | Calculated Property |
| η | 0.0004673 | Pa×s | 415.35 | Calculated Property |
| η | 0.0003029 | Pa×s | 440.49 | Calculated Property |
| η | 0.0002058 | Pa×s | 465.62 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [347.80; 494.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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