- InChI
- InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3
- InChI Key
- DWANEFRJKWXRSG-UHFFFAOYSA-N
- Formula
- C14H30O2
- SMILES
- CCCCCCCCCCCCC(O)CO
- Molecular Weight1
- 230.39
- CAS
- 21129-09-9
- Other Names
-
- Tetradecane-1,2-diol
- 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 | 1.0158 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.651 | Crippen Calculated Property | |
| McVol | 219.860 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [1826.00; 1826.00] |
|
|
| Inp | 1826.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Tboil | 599.04 | K | Relay (1.0) Calculated Property |
| Tc | 775.72 | K | Relay (1.0) Calculated Property |
| Tfus | 341.40 ± 0.30 | K | NIST |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.16; 779.48] | 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 | -9.38000e-01 | |||
| Coefficient B | 1.40772e+00 | |||
| Coefficient C | -8.01800e-04 | |||
| Coefficient D | 1.74500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 404.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 473.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 535.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 590.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 638.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 681.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 718.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 751.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 779.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0214701; 0.0000306] | Pa×s | [341.40; 607.60] |
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 | -1.87962e+01 | |||
| Coefficient B | 5.10568e+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. | 341.40 | |||
| Temperature range, max. | 607.60 | |||
| η | 0.0214701 | Pa×s | 341.40 | Calculated Property |
| η | 0.0065163 | Pa×s | 370.98 | Calculated Property |
| η | 0.0023585 | Pa×s | 400.56 | Calculated Property |
| η | 0.0009817 | Pa×s | 430.13 | Calculated Property |
| η | 0.0004574 | Pa×s | 459.71 | Calculated Property |
| η | 0.0002337 | Pa×s | 489.29 | Calculated Property |
| η | 0.0001289 | Pa×s | 518.87 | Calculated Property |
| η | 0.0000758 | Pa×s | 548.44 | Calculated Property |
| η | 0.0000471 | Pa×s | 578.02 | Calculated Property |
| η | 0.0000306 | Pa×s | 607.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [474.32; 589.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.12424e+01 | |||
| Coefficient B | -7.62392e+03 | |||
| Coefficient C | -1.10494e+02 | |||
| Temperature range, min. | 474.32 | |||
| Temperature range, max. | 589.05 | |||
| Pvap | 1.33 | kPa | 474.32 | Calculated Property |
| Pvap | 2.71 | kPa | 487.07 | Calculated Property |
| Pvap | 5.26 | kPa | 499.82 | Calculated Property |
| Pvap | 9.78 | kPa | 512.56 | Calculated Property |
| Pvap | 17.52 | kPa | 525.31 | Calculated Property |
| Pvap | 30.31 | kPa | 538.06 | Calculated Property |
| Pvap | 50.79 | kPa | 550.81 | Calculated Property |
| Pvap | 82.67 | kPa | 563.55 | Calculated Property |
| Pvap | 131.02 | kPa | 576.30 | Calculated Property |
| Pvap | 202.62 | kPa | 589.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Tetradecanediol.
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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