- InChI
- InChI=1S/C10H22/c1-6-10(4,5)8-7-9(2)3/h9H,6-8H2,1-5H3
- InChI Key
- SOYLPZSOEXZMLE-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)(C)CCC(C)C
- Molecular Weight1
- 142.28
- CAS
- 1189-99-7
- Other Names
-
- 2,5,5-Trimethylheptane
- 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).
- NFPA Fire : NFPA Fire Rating.
- 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 |
|---|---|---|---|
| ΔfG° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.00 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | [890.00; 892.00] |
|
|
| Inp | 892.00 | NIST | |
| Inp | 891.70 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 890.00 | NIST | |
| Tboil | 425.95 ± 0.50 | K | NIST |
| Tc | 600.93 | K | Joback Calculated Property |
| Tfus | 189.88 | K | Joback Calculated Property |
| Vc | 0.579 | m3/kmol | Joback 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; 202.64] | kPa | [311.72; 454.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40265e+01 | |||
| Coefficient B | -3.40955e+03 | |||
| Coefficient C | -6.35550e+01 | |||
| Temperature range, min. | 311.72 | |||
| Temperature range, max. | 454.78 | |||
| Pvap | 1.33 | kPa | 311.72 | Calculated Property |
| Pvap | 3.05 | kPa | 327.62 | Calculated Property |
| Pvap | 6.34 | kPa | 343.51 | Calculated Property |
| Pvap | 12.21 | kPa | 359.41 | Calculated Property |
| Pvap | 21.97 | kPa | 375.30 | Calculated Property |
| Pvap | 37.34 | kPa | 391.20 | Calculated Property |
| Pvap | 60.44 | kPa | 407.09 | Calculated Property |
| Pvap | 93.75 | kPa | 422.99 | Calculated Property |
| Pvap | 140.09 | kPa | 438.88 | Calculated Property |
| Pvap | 202.64 | kPa | 454.78 | Calculated Property |
| Pvap | [1.36; 2219.42] | kPa | [312.15; 602.90] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.96426e+01 | |||
| Coefficient B | -8.85031e+03 | |||
| Coefficient C | -1.24821e+01 | |||
| Coefficient D | 7.28843e-06 | |||
| Temperature range, min. | 312.15 | |||
| Temperature range, max. | 602.90 | |||
| Pvap | 1.36 | kPa | 312.15 | Calculated Property |
| Pvap | 6.64 | kPa | 344.46 | Calculated Property |
| Pvap | 23.28 | kPa | 376.76 | Calculated Property |
| Pvap | 64.14 | kPa | 409.07 | Calculated Property |
| Pvap | 147.83 | kPa | 441.37 | Calculated Property |
| Pvap | 298.08 | kPa | 473.68 | Calculated Property |
| Pvap | 543.18 | kPa | 505.98 | Calculated Property |
| Pvap | 916.47 | kPa | 538.29 | Calculated Property |
| Pvap | 1458.26 | kPa | 570.59 | Calculated Property |
| Pvap | 2219.42 | kPa | 602.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,5,5-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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