- InChI
- InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
- InChI Key
- MAKRYGRRIKSDES-RKDXNWHRSA-N
- Formula
- C9H20
- SMILES
- CCCC(C)C(C)CC
- Molecular Weight1
- 128.26
- Other Names
-
- «beta»-3,4-dimethylheptane
- Heptane, 3,4-dimethyl-, threo-
- 3,4-Dimethylheptane, (L)
- 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).
- 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 | 0.3624 | Relay (... Calculated Property | |
| ΔfG° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.26 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.46 | eV | Relay (... Calculated Property |
| log10WS | -5.16 | Relay (... Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [849.20; 862.60] |
|
|
| Inp | 857.90 | NIST | |
| Inp | 862.60 | NIST | |
| Inp | 859.80 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | Outlier 849.20 | NIST | |
| Inp | 855.70 | NIST | |
| Inp | 856.40 | NIST | |
| Inp | 857.90 | NIST | |
| Tboil | 411.71 | K | Relay (... Calculated Property |
| Tc | 585.20 | K | Relay (... Calculated Property |
| Tfus | 171.13 | K | Relay (... Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.52; 353.86] | J/mol×K | [404.44; 574.89] |
|
| Cp,gas | 272.52 | J/mol×K | 404.44 | Joback Calculated Property |
| Cp,gas | 287.44 | J/mol×K | 432.85 | Joback Calculated Property |
| Cp,gas | 301.80 | J/mol×K | 461.26 | Joback Calculated Property |
| Cp,gas | 315.61 | J/mol×K | 489.67 | Joback Calculated Property |
| Cp,gas | 328.88 | J/mol×K | 518.07 | Joback Calculated Property |
| Cp,gas | 341.62 | J/mol×K | 546.48 | Joback Calculated Property |
| Cp,gas | 353.86 | J/mol×K | 574.89 | Joback Calculated Property |
| η | [0.0002255; 0.0224972] | Pa×s | [161.19; 404.44] |
|
| η | 0.0224972 | Pa×s | 161.19 | Joback Calculated Property |
| η | 0.0048330 | Pa×s | 201.73 | Joback Calculated Property |
| η | 0.0017372 | Pa×s | 242.27 | Joback Calculated Property |
| η | 0.0008373 | Pa×s | 282.81 | Joback Calculated Property |
| η | 0.0004846 | Pa×s | 323.36 | Joback Calculated Property |
| η | 0.0003168 | Pa×s | 363.90 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 404.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethylheptane, threo.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.