- InChI
- InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
- InChI Key
- XYYMFUCZDNNGFS-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCCC(=O)C(C)C
- Molecular Weight1
- 128.21
- CAS
- 13019-20-0
- Other Names
-
- 2-Methyl-3-heptanone
- 2-Methylheptanone-(3)
- 2-methylheptan-3-one
- 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).
- 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).
- 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° | -114.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Inp | [918.00; 922.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 922.00 | NIST | |
| I | [1164.00; 1197.50] |
|
|
| I | 1197.50 | NIST | |
| I | 1178.70 | NIST | |
| I | 1185.00 | NIST | |
| I | 1191.00 | NIST | |
| I | 1164.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1179.00 | NIST | |
| I | 1197.50 | NIST | |
| Tboil | [429.00; 433.00] | K |
|
| Tboil | 431.20 | K | NIST |
| Tboil | 429.00 ± 5.00 | K | NIST |
| Tboil | 432.00 ± 3.00 | K | NIST |
| Tboil | 433.00 ± 3.00 | K | NIST |
| Tc | 615.20 | K | Joback Calculated Property |
| Tfus | 214.85 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.56; 325.12] | J/mol×K | [435.87; 615.20] |
|
| Cp,gas | 255.56 | J/mol×K | 435.87 | Joback Calculated Property |
| Cp,gas | 268.41 | J/mol×K | 465.76 | Joback Calculated Property |
| Cp,gas | 280.75 | J/mol×K | 495.65 | Joback Calculated Property |
| Cp,gas | 292.58 | J/mol×K | 525.54 | Joback Calculated Property |
| Cp,gas | 303.91 | J/mol×K | 555.42 | Joback Calculated Property |
| Cp,gas | 314.75 | J/mol×K | 585.31 | Joback Calculated Property |
| Cp,gas | 325.12 | J/mol×K | 615.20 | Joback Calculated Property |
| η | [0.0002821; 0.0067893] | Pa×s | [214.85; 435.87] |
|
| η | 0.0067893 | Pa×s | 214.85 | Joback Calculated Property |
| η | 0.0027108 | Pa×s | 251.69 | Joback Calculated Property |
| η | 0.0013683 | Pa×s | 288.52 | Joback Calculated Property |
| η | 0.0008063 | Pa×s | 325.36 | Joback Calculated Property |
| η | 0.0005291 | Pa×s | 362.20 | Joback Calculated Property |
| η | 0.0003753 | Pa×s | 399.03 | Joback Calculated Property |
| η | 0.0002821 | Pa×s | 435.87 | Joback Calculated Property |
| ΔvapH | 43.50 | kJ/mol | 389.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [322.42; 457.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50256e+01 | |||
| Coefficient B | -3.85265e+03 | |||
| Coefficient C | -6.10100e+01 | |||
| Temperature range, min. | 322.42 | |||
| Temperature range, max. | 457.61 | |||
| Pvap | 1.33 | kPa | 322.42 | Calculated Property |
| Pvap | 2.97 | kPa | 337.44 | Calculated Property |
| Pvap | 6.09 | kPa | 352.46 | Calculated Property |
| Pvap | 11.64 | kPa | 367.48 | Calculated Property |
| Pvap | 20.95 | kPa | 382.50 | Calculated Property |
| Pvap | 35.76 | kPa | 397.53 | Calculated Property |
| Pvap | 58.33 | kPa | 412.55 | Calculated Property |
| Pvap | 91.40 | kPa | 427.57 | Calculated Property |
| Pvap | 138.24 | kPa | 442.59 | Calculated Property |
| Pvap | 202.63 | kPa | 457.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanone, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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