- InChI
- InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3
- InChI Key
- DZJTZGHZAWTWGA-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCC(C)CC(C)CC
- Molecular Weight1
- 128.26
- CAS
- 926-82-9
- Other Names
-
- 3,5-Dimethylheptane
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3850 | KDB | |
| ΔfG° | 20.02 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6118.31 | kJ/mol | KDB |
| Δc,netH | 5678.190 | kJ/mol | KDB |
| ΔfH°gas | -239.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.30 | kJ/mol | NIST |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2400.00 | kPa | KDB |
| Inp | [828.00; 856.00] |
|
|
| Inp | 834.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 837.40 | NIST | |
| Inp | 837.30 | NIST | |
| Inp | 838.10 | NIST | |
| Inp | 838.10 | NIST | |
| Inp | 834.40 | NIST | |
| Inp | 834.60 | NIST | |
| Inp | 834.60 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 833.70 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | Outlier 845.60 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 840.20 | NIST | |
| Inp | 837.60 | NIST | |
| Inp | 837.20 | NIST | |
| Inp | Outlier 856.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 837.00 | NIST | |
| Tboil | [408.05; 409.20] | K |
|
| Tboil | 409.20 | K | KDB |
| Tboil | 409.20 | K | NIST |
| Tboil | 408.65 ± 1.00 | K | NIST |
| Tboil | 408.05 ± 1.00 | K | NIST |
| Tboil | 409.15 ± 0.50 | K | NIST |
| Tc | 583.20 | K | KDB |
| Tfus | 170.00 | K | KDB |
| Vc | 0.510 | m3/kmol | KDB |
| Zc | 0.2524220 | KDB |
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 |
| ΔvapH | 35.65 | kJ/mol | 409.20 | KDB |
| n0 | 1.40440 | 298.15 | KDB | |
| ρl | [661.20; 734.10] | kg/m3 | [283.15; 373.15] |
|
| ρl | 734.00 | kg/m3 | 283.15 | Density... |
| ρl | 734.10 | kg/m3 | 283.15 | Density... |
| ρl | 726.20 | kg/m3 | 293.15 | Density... |
| ρl | 726.30 | kg/m3 | 293.15 | Density... |
| ρl | 718.40 | kg/m3 | 303.15 | Density... |
| ρl | 718.40 | kg/m3 | 303.15 | Density... |
| ρl | 710.50 | kg/m3 | 313.15 | Density... |
| ρl | 710.50 | kg/m3 | 313.15 | Density... |
| ρl | 702.50 | kg/m3 | 323.15 | Density... |
| ρl | 702.50 | kg/m3 | 323.15 | Density... |
| ρl | 694.50 | kg/m3 | 333.15 | Density... |
| ρl | 686.30 | kg/m3 | 343.15 | Density... |
| ρl | 678.00 | kg/m3 | 353.15 | Density... |
| ρl | 669.70 | kg/m3 | 363.15 | Density... |
| ρl | 661.20 | kg/m3 | 373.15 | Density... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [299.55; 436.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41770e+01 | |||
| Coefficient B | -3.36017e+03 | |||
| Coefficient C | -5.76290e+01 | |||
| Temperature range, min. | 299.55 | |||
| Temperature range, max. | 436.64 | |||
| Pvap | 1.33 | kPa | 299.55 | Calculated Property |
| Pvap | 3.03 | kPa | 314.78 | Calculated Property |
| Pvap | 6.30 | kPa | 330.01 | Calculated Property |
| Pvap | 12.11 | kPa | 345.25 | Calculated Property |
| Pvap | 21.80 | kPa | 360.48 | Calculated Property |
| Pvap | 37.08 | kPa | 375.71 | Calculated Property |
| Pvap | 60.09 | kPa | 390.94 | Calculated Property |
| Pvap | 93.36 | kPa | 406.18 | Calculated Property |
| Pvap | 139.79 | kPa | 421.41 | Calculated Property |
| Pvap | 202.63 | kPa | 436.64 | Calculated Property |
| Pvap | [1.30; 2403.75] | kPa | [299.15; 583.20] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.65761e+01 | |||
| Coefficient B | -8.38639e+03 | |||
| Coefficient C | -1.20980e+01 | |||
| Coefficient D | 7.74710e-06 | |||
| Temperature range, min. | 299.15 | |||
| Temperature range, max. | 583.20 | |||
| Pvap | 1.30 | kPa | 299.15 | Calculated Property |
| Pvap | 6.56 | kPa | 330.71 | Calculated Property |
| Pvap | 23.51 | kPa | 362.27 | Calculated Property |
| Pvap | 65.81 | kPa | 393.83 | Calculated Property |
| Pvap | 153.61 | kPa | 425.39 | Calculated Property |
| Pvap | 312.91 | kPa | 456.96 | Calculated Property |
| Pvap | 575.25 | kPa | 488.52 | Calculated Property |
| Pvap | 978.29 | kPa | 520.08 | Calculated Property |
| Pvap | 1568.19 | kPa | 551.64 | Calculated Property |
| Pvap | 2403.75 | kPa | 583.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3,5-dimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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