- InChI
- InChI=1S/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h19-21H,2-18H2,1H3
- InChI Key
- OFLPOBPCVHNRMF-UHFFFAOYSA-N
- Formula
- C19H40O2
- SMILES
- CCCCCCCCCCCCCCCCCC(O)CO
- Molecular Weight1
- 300.52
- CAS
- 39516-65-9
- Other Names
-
- Nonadecanediol-1,2
- 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).
- 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).
- 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 | 1.1936 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.601 | Crippen Calculated Property | |
| McVol | 290.310 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Tboil | 633.39 | K | Relay (1.0) Calculated Property |
| Tc | 818.24 | K | Relay (1.0) Calculated Property |
| Tfus | 356.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.23; 1037.44] | 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 | -5.48300e+00 | |||
| Coefficient B | 1.88272e+00 | |||
| Coefficient C | -1.07380e-03 | |||
| Coefficient D | 2.34000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 433.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 536.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 629.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 711.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 784.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 849.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 906.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 956.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 999.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1037.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026272; 0.0000094] | Pa×s | [410.53; 701.49] |
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 | -1.95255e+01 | |||
| Coefficient B | 5.57648e+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. | 410.53 | |||
| Temperature range, max. | 701.49 | |||
| η | 0.0026272 | Pa×s | 410.53 | Calculated Property |
| η | 0.0009746 | Pa×s | 442.86 | Calculated Property |
| η | 0.0004138 | Pa×s | 475.19 | Calculated Property |
| η | 0.0001959 | Pa×s | 507.52 | Calculated Property |
| η | 0.0001015 | Pa×s | 539.85 | Calculated Property |
| η | 0.0000566 | Pa×s | 572.18 | Calculated Property |
| η | 0.0000336 | Pa×s | 604.50 | Calculated Property |
| η | 0.0000210 | Pa×s | 636.83 | Calculated Property |
| η | 0.0000138 | Pa×s | 669.16 | Calculated Property |
| η | 0.0000094 | Pa×s | 701.49 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [530.32; 617.22] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.84577e+01 | |||
| Coefficient B | -1.12784e+04 | |||
| Coefficient C | -1.29954e+02 | |||
| Temperature range, min. | 530.32 | |||
| Temperature range, max. | 617.22 | |||
| Pvap | 1.33 | kPa | 530.32 | Calculated Property |
| Pvap | 2.59 | kPa | 539.98 | Calculated Property |
| Pvap | 4.87 | kPa | 549.63 | Calculated Property |
| Pvap | 8.92 | kPa | 559.29 | Calculated Property |
| Pvap | 15.89 | kPa | 568.94 | Calculated Property |
| Pvap | 27.63 | kPa | 578.60 | Calculated Property |
| Pvap | 46.93 | kPa | 588.25 | Calculated Property |
| Pvap | 77.97 | kPa | 597.91 | Calculated Property |
| Pvap | 126.92 | kPa | 607.56 | Calculated Property |
| Pvap | 202.65 | kPa | 617.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Nonadecanediol.
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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