- InChI
- InChI=1S/C10H22/c1-7-10(6,8-2)9(3,4)5/h7-8H2,1-6H3
- InChI Key
- AJDIFHIHSYVDGP-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)(CC)C(C)(C)C
- Molecular Weight1
- 142.28
- CAS
- 52897-17-3
- Other Names
-
- 2,2,3-Trimethyl-3-ethylpentane
- 3-Ethyl-2,2,3-trimethylpentane
- 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 | 0.3024 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.00 | kJ/mol | NIST |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [965.70; 967.30] |
|
|
| Inp | 966.00 | NIST | |
| Inp | 965.70 | NIST | |
| Inp | Outlier 967.30 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 966.00 | NIST | |
| Tboil | 431.21 | K | Relay (1.0) Calculated Property |
| Tc | 622.38 | K | Relay (1.0) Calculated Property |
| Tfus | [230.65; 230.90] | K |
|
| Tfus | 230.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 230.90 ± 2.00 | K | NIST |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.70; 538.17] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.51480e+01 | |||
| Coefficient B | 1.20552e+00 | |||
| Coefficient C | -8.63800e-04 | |||
| Coefficient D | 2.51600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 409.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 496.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 518.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 538.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0079693; 0.0002601] | Pa×s | [230.78; 424.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23422e+01 | |||
| Coefficient B | 1.73312e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 230.78 | |||
| Temperature range, max. | 424.00 | |||
| η | 0.0079693 | Pa×s | 230.78 | Calculated Property |
| η | 0.0042055 | Pa×s | 252.24 | Calculated Property |
| η | 0.0024534 | Pa×s | 273.71 | Calculated Property |
| η | 0.0015480 | Pa×s | 295.18 | Calculated Property |
| η | 0.0010396 | Pa×s | 316.65 | Calculated Property |
| η | 0.0007344 | Pa×s | 338.12 | Calculated Property |
| η | 0.0005408 | Pa×s | 359.59 | Calculated Property |
| η | 0.0004122 | Pa×s | 381.06 | Calculated Property |
| η | 0.0003234 | Pa×s | 402.53 | Calculated Property |
| η | 0.0002601 | Pa×s | 424.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [319.75; 473.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40807e+01 | |||
| Coefficient B | -3.70401e+03 | |||
| Coefficient C | -5.12120e+01 | |||
| Temperature range, min. | 319.75 | |||
| Temperature range, max. | 473.60 | |||
| Pvap | 1.33 | kPa | 319.75 | Calculated Property |
| Pvap | 3.04 | kPa | 336.84 | Calculated Property |
| Pvap | 6.33 | kPa | 353.94 | Calculated Property |
| Pvap | 12.17 | kPa | 371.03 | Calculated Property |
| Pvap | 21.91 | kPa | 388.13 | Calculated Property |
| Pvap | 37.25 | kPa | 405.22 | Calculated Property |
| Pvap | 60.32 | kPa | 422.32 | Calculated Property |
| Pvap | 93.61 | kPa | 439.41 | Calculated Property |
| Pvap | 139.99 | kPa | 456.51 | Calculated Property |
| Pvap | 202.64 | kPa | 473.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3-ethyl-2,2,3-trimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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