- InChI
- InChI=1S/C10H22/c1-6-8-9(3)10(4,5)7-2/h9H,6-8H2,1-5H3
- InChI Key
- WRBHKVWLEIYLDZ-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(C)C(C)(C)CC
- Molecular Weight1
- 142.28
- CAS
- 20278-87-9
- Other Names
-
- 3,3,4-Trimethylheptane
- 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 | 0.3559 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | [936.30; 957.00] |
|
|
| Inp | 937.00 | NIST | |
| Inp | 936.60 | NIST | |
| Inp | 936.30 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | Outlier 957.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 937.00 | NIST | |
| Tboil | 430.71 | K | Relay (1.0) Calculated Property |
| Tc | 608.11 | K | Relay (1.0) Calculated Property |
| Tfus | 175.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.93; 407.85] | J/mol×K | [424.53; 600.93] |
|
| Cp,gas | 316.93 | J/mol×K | 424.53 | Joback Calculated Property |
| Cp,gas | 333.94 | J/mol×K | 453.93 | Joback Calculated Property |
| Cp,gas | 350.18 | J/mol×K | 483.33 | Joback Calculated Property |
| Cp,gas | 365.66 | J/mol×K | 512.73 | Joback Calculated Property |
| Cp,gas | 380.41 | J/mol×K | 542.13 | Joback Calculated Property |
| Cp,gas | 394.47 | J/mol×K | 571.53 | Joback Calculated Property |
| Cp,gas | 407.85 | J/mol×K | 600.93 | Joback Calculated Property |
| η | [0.0002394; 0.0206027] | Pa×s | [189.88; 424.53] |
|
| η | 0.0206027 | Pa×s | 189.88 | Joback Calculated Property |
| η | 0.0052013 | Pa×s | 228.99 | Joback Calculated Property |
| η | 0.0019620 | Pa×s | 268.10 | Joback Calculated Property |
| η | 0.0009486 | Pa×s | 307.20 | Joback Calculated Property |
| η | 0.0005405 | Pa×s | 346.31 | Joback Calculated Property |
| η | 0.0003452 | Pa×s | 385.42 | Joback Calculated Property |
| η | 0.0002394 | Pa×s | 424.53 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 2372.31] | kPa | [317.15; 622.10] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.36132e+01 | |||
| Coefficient B | -8.66251e+03 | |||
| Coefficient C | -1.15778e+01 | |||
| Coefficient D | 6.62643e-06 | |||
| Temperature range, min. | 317.15 | |||
| Temperature range, max. | 622.10 | |||
| Pvap | 1.33 | kPa | 317.15 | Calculated Property |
| Pvap | 6.66 | kPa | 351.03 | Calculated Property |
| Pvap | 23.73 | kPa | 384.92 | Calculated Property |
| Pvap | 66.11 | kPa | 418.80 | Calculated Property |
| Pvap | 153.61 | kPa | 452.68 | Calculated Property |
| Pvap | 311.75 | kPa | 486.57 | Calculated Property |
| Pvap | 571.32 | kPa | 520.45 | Calculated Property |
| Pvap | 969.13 | kPa | 554.33 | Calculated Property |
| Pvap | 1550.27 | kPa | 588.22 | Calculated Property |
| Pvap | 2372.31 | kPa | 622.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3,3,4-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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