- InChI
- InChI=1S/C9H20O/c1-5-7(3)9(10)8(4)6-2/h7-10H,5-6H2,1-4H3
- InChI Key
- ZKXITRNXHWEQJU-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCC(C)C(O)C(C)CC
- Molecular Weight1
- 144.25
- CAS
- 19549-79-2
- Other Names
-
- 3,5-Dimethyl-4-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° | -119.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.440 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Tboil | [444.15; 452.15] | K |
|
| Tboil | 452.15 ± 2.00 | K | NIST |
| Tboil | 450.65 ± 4.00 | K | NIST |
| Tboil | 450.65 ± 3.00 | K | NIST |
| Tboil | 444.15 ± 4.00 | K | NIST |
| Tc | 664.60 | K | Joback Calculated Property |
| Tfus | 207.01 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.97; 407.30] | J/mol×K | [496.18; 664.60] |
|
| Cp,gas | 334.97 | J/mol×K | 496.18 | Joback Calculated Property |
| Cp,gas | 348.32 | J/mol×K | 524.25 | Joback Calculated Property |
| Cp,gas | 361.14 | J/mol×K | 552.32 | Joback Calculated Property |
| Cp,gas | 373.44 | J/mol×K | 580.39 | Joback Calculated Property |
| Cp,gas | 385.22 | J/mol×K | 608.46 | Joback Calculated Property |
| Cp,gas | 396.50 | J/mol×K | 636.53 | Joback Calculated Property |
| Cp,gas | 407.30 | J/mol×K | 664.60 | Joback Calculated Property |
| η | [0.0001269; 0.5757064] | Pa×s | [207.01; 496.18] |
|
| η | 0.5757064 | Pa×s | 207.01 | Joback Calculated Property |
| η | 0.0376026 | Pa×s | 255.20 | Joback Calculated Property |
| η | 0.0058439 | Pa×s | 303.40 | Joback Calculated Property |
| η | 0.0015130 | Pa×s | 351.59 | Joback Calculated Property |
| η | 0.0005426 | Pa×s | 399.79 | Joback Calculated Property |
| η | 0.0002426 | Pa×s | 447.98 | Joback Calculated Property |
| η | 0.0001269 | Pa×s | 496.18 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [355.12; 474.14] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73855e+01 | |||
| Coefficient B | -4.89083e+03 | |||
| Coefficient C | -6.90720e+01 | |||
| Temperature range, min. | 355.12 | |||
| Temperature range, max. | 474.14 | |||
| Pvap | 1.33 | kPa | 355.12 | Calculated Property |
| Pvap | 2.84 | kPa | 368.34 | Calculated Property |
| Pvap | 5.67 | kPa | 381.57 | Calculated Property |
| Pvap | 10.70 | kPa | 394.79 | Calculated Property |
| Pvap | 19.22 | kPa | 408.02 | Calculated Property |
| Pvap | 33.04 | kPa | 421.24 | Calculated Property |
| Pvap | 54.62 | kPa | 434.47 | Calculated Property |
| Pvap | 87.18 | kPa | 447.69 | Calculated Property |
| Pvap | 134.82 | kPa | 460.92 | Calculated Property |
| Pvap | 202.64 | kPa | 474.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanol, 3,5-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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