- InChI
- InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3
- InChI Key
- HXUYUZCPGPKNGS-UHFFFAOYSA-N
- Formula
- C15H32
- SMILES
- CCCCCCCCCCCC(C)CC
- Molecular Weight1
- 212.41
- CAS
- 18435-22-8
- Other Names
-
- 3-Methyltetradecane
- 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 | 0.6451 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.953 | Crippen Calculated Property | |
| McVol | 222.210 | ml/mol | McGowan Calculated Property |
| Pc | 1423.99 | kPa | Joback Calculated Property |
| Inp | [1461.00; 1472.50] |
|
|
| Inp | 1469.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | Outlier 1462.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1471.07 | NIST | |
| Inp | 1471.79 | NIST | |
| Inp | 1471.39 | NIST | |
| Inp | 1471.08 | NIST | |
| Inp | 1471.21 | NIST | |
| Inp | 1471.39 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1472.50 | NIST | |
| Inp | Outlier 1461.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Tboil | 528.93 | K | Relay (1.0) Calculated Property |
| Tc | 695.55 | K | Relay (1.0) Calculated Property |
| Tfus | [237.20; 241.15] | K |
|
| Tfus | 241.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 237.20 ± 2.00 | K | NIST |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 58.40 | kJ/mol | 470.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.37; 793.73] | 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 | -1.24290e+01 | |||
| Coefficient B | 1.43476e+00 | |||
| Coefficient C | -7.95400e-04 | |||
| Coefficient D | 1.66800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 323.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 402.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 474.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 538.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 595.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 646.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 690.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 729.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 763.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 793.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0096476; 0.0002181] | Pa×s | [239.18; 492.93] |
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 | -1.20024e+01 | |||
| Coefficient B | 1.76066e+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. | 239.18 | |||
| Temperature range, max. | 492.93 | |||
| η | 0.0096476 | Pa×s | 239.18 | Calculated Property |
| η | 0.0044390 | Pa×s | 267.37 | Calculated Property |
| η | 0.0023685 | Pa×s | 295.57 | Calculated Property |
| η | 0.0014099 | Pa×s | 323.76 | Calculated Property |
| η | 0.0009120 | Pa×s | 351.96 | Calculated Property |
| η | 0.0006293 | Pa×s | 380.15 | Calculated Property |
| η | 0.0004570 | Pa×s | 408.35 | Calculated Property |
| η | 0.0003459 | Pa×s | 436.54 | Calculated Property |
| η | 0.0002709 | Pa×s | 464.74 | Calculated Property |
| η | 0.0002181 | Pa×s | 492.93 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [407.11; 572.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42836e+01 | |||
| Coefficient B | -4.13364e+03 | |||
| Coefficient C | -1.11770e+02 | |||
| Temperature range, min. | 407.11 | |||
| Temperature range, max. | 572.49 | |||
| Pvap | 1.33 | kPa | 407.11 | Calculated Property |
| Pvap | 3.03 | kPa | 425.49 | Calculated Property |
| Pvap | 6.27 | kPa | 443.86 | Calculated Property |
| Pvap | 12.05 | kPa | 462.24 | Calculated Property |
| Pvap | 21.68 | kPa | 480.61 | Calculated Property |
| Pvap | 36.91 | kPa | 498.99 | Calculated Property |
| Pvap | 59.86 | kPa | 517.36 | Calculated Property |
| Pvap | 93.10 | kPa | 535.74 | Calculated Property |
| Pvap | 139.59 | kPa | 554.11 | Calculated Property |
| Pvap | 202.64 | kPa | 572.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetradecane, 3-methyl-.
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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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