- InChI
- InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3
- InChI Key
- FWXKCXJPHSAYMK-UHFFFAOYSA-N
- Formula
- C16H34
- SMILES
- CCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 226.44
- CAS
- 2882-96-4
- Other Names
-
- 3-Methylpentadecane
- 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 | 0.6801 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.344 | Crippen Calculated Property | |
| McVol | 236.300 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | [1565.00; 1574.00] |
|
|
| Inp | 1572.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1568.60 | NIST | |
| Inp | 1570.20 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1571.46 | NIST | |
| Inp | 1571.82 | NIST | |
| Inp | 1572.06 | NIST | |
| Inp | 1570.93 | NIST | |
| Inp | 1571.48 | NIST | |
| Inp | 1571.51 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1572.70 | NIST | |
| Inp | Outlier 1566.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | Outlier 1565.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1568.60 | NIST | |
| Inp | 1572.06 | NIST | |
| Inp | 1570.00 | NIST | |
| Tboil | 539.50 ± 3.00 | K | NIST |
| Tc | 708.54 | K | Relay (1.0) Calculated Property |
| Tfus | [241.20; 251.15] | K |
|
| Tfus | 251.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 250.20 ± 2.00 | K | NIST |
| Tfus | 241.20 ± 1.00 | K | NIST |
| Tfus | 250.90 ± 0.60 | K | NIST |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 61.00 | kJ/mol | 486.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.59; 845.32] | 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 | -1.33380e+01 | |||
| Coefficient B | 1.52976e+00 | |||
| Coefficient C | -8.49800e-04 | |||
| Coefficient D | 1.78700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 344.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 429.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 505.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 573.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 634.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 688.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 735.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 777.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 813.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 845.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093789; 0.0002054] | Pa×s | [248.36; 508.57] |
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 | -1.21375e+01 | |||
| Coefficient B | 1.85482e+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. | 248.36 | |||
| Temperature range, max. | 508.57 | |||
| η | 0.0093789 | Pa×s | 248.36 | Calculated Property |
| η | 0.0043048 | Pa×s | 277.27 | Calculated Property |
| η | 0.0022889 | Pa×s | 306.19 | Calculated Property |
| η | 0.0013572 | Pa×s | 335.10 | Calculated Property |
| η | 0.0008744 | Pa×s | 364.01 | Calculated Property |
| η | 0.0006010 | Pa×s | 392.92 | Calculated Property |
| η | 0.0004349 | Pa×s | 421.84 | Calculated Property |
| η | 0.0003280 | Pa×s | 450.75 | Calculated Property |
| η | 0.0002559 | Pa×s | 479.66 | Calculated Property |
| η | 0.0002054 | Pa×s | 508.57 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [420.02; 588.90] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42755e+01 | |||
| Coefficient B | -4.21487e+03 | |||
| Coefficient C | -1.18700e+02 | |||
| Temperature range, min. | 420.02 | |||
| Temperature range, max. | 588.90 | |||
| Pvap | 1.33 | kPa | 420.02 | Calculated Property |
| Pvap | 3.03 | kPa | 438.78 | Calculated Property |
| Pvap | 6.28 | kPa | 457.55 | Calculated Property |
| Pvap | 12.05 | kPa | 476.31 | Calculated Property |
| Pvap | 21.69 | kPa | 495.08 | Calculated Property |
| Pvap | 36.92 | kPa | 513.84 | Calculated Property |
| Pvap | 59.88 | kPa | 532.61 | Calculated Property |
| Pvap | 93.13 | kPa | 551.37 | Calculated Property |
| Pvap | 139.62 | kPa | 570.14 | Calculated Property |
| Pvap | 202.66 | kPa | 588.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 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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