- InChI
- InChI=1S/C14H30/c1-5-6-7-8-9-10-11-12-14(4)13(2)3/h13-14H,5-12H2,1-4H3
- InChI Key
- QBIXLGJCVGNDBJ-UHFFFAOYSA-N
- Formula
- C14H30
- SMILES
- CCCCCCCCCC(C)C(C)C
- Molecular Weight1
- 198.39
- CAS
- 6117-98-2
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5763 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.419 | Crippen Calculated Property | |
| McVol | 208.120 | ml/mol | McGowan Calculated Property |
| Pc | 1542.71 | kPa | Joback Calculated Property |
| Inp | 1353.00 | NIST | |
| Tboil | 508.35 | K | Relay (1.0) Calculated Property |
| Tc | 678.87 | K | Relay (1.0) Calculated Property |
| Tfus | 222.60 ± 2.00 | K | NIST |
| Vc | 0.793 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 53.40 | kJ/mol | 452.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.85; 742.68] | 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 | -1.32020e+01 | |||
| Coefficient B | 1.34568e+00 | |||
| Coefficient C | -7.44200e-04 | |||
| Coefficient D | 1.54400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 301.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 376.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 443.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 503.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 557.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 604.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 646.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 682.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 714.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 742.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0129156; 0.0002141] | Pa×s | [222.60; 479.20] |
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 | -1.20057e+01 | |||
| Coefficient B | 1.70432e+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. | 222.60 | |||
| Temperature range, max. | 479.20 | |||
| η | 0.0129156 | Pa×s | 222.60 | Calculated Property |
| η | 0.0054147 | Pa×s | 251.11 | Calculated Property |
| η | 0.0027104 | Pa×s | 279.62 | Calculated Property |
| η | 0.0015420 | Pa×s | 308.13 | Calculated Property |
| η | 0.0009653 | Pa×s | 336.65 | Calculated Property |
| η | 0.0006501 | Pa×s | 365.16 | Calculated Property |
| η | 0.0004636 | Pa×s | 393.67 | Calculated Property |
| η | 0.0003461 | Pa×s | 422.18 | Calculated Property |
| η | 0.0002681 | Pa×s | 450.69 | Calculated Property |
| η | 0.0002141 | Pa×s | 479.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [390.58; 552.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41487e+01 | |||
| Coefficient B | -3.95243e+03 | |||
| Coefficient C | -1.05430e+02 | |||
| Temperature range, min. | 390.58 | |||
| Temperature range, max. | 552.68 | |||
| Pvap | 1.33 | kPa | 390.58 | Calculated Property |
| Pvap | 3.04 | kPa | 408.59 | Calculated Property |
| Pvap | 6.31 | kPa | 426.60 | Calculated Property |
| Pvap | 12.13 | kPa | 444.61 | Calculated Property |
| Pvap | 21.83 | kPa | 462.62 | Calculated Property |
| Pvap | 37.14 | kPa | 480.64 | Calculated Property |
| Pvap | 60.17 | kPa | 498.65 | Calculated Property |
| Pvap | 93.45 | kPa | 516.66 | Calculated Property |
| Pvap | 139.87 | kPa | 534.67 | Calculated Property |
| Pvap | 202.65 | kPa | 552.68 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyldodecane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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