- InChI
- InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
- InChI Key
- NGDNVOAEIVQRFH-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCCCCC(C)O
- Molecular Weight1
- 144.25
- CAS
- 628-99-9
- Other Names
-
- 1-Methyl-1-octanol
- NONAN-2-OL
- Nonanol-(2)
- n-Nonan-2-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6060 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| Cp,liquid | 356.31 | J/mol×K | Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols |
| ΔfG° | -114.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.90 ± 0.60 | kJ/mol | NIST |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.74; -2.74] |
|
|
| log10WS | -2.74 | Aq. Solubility Prediction | |
| log10WS | -2.74 | Estimated Solubility | |
| logPoct/wat | 2.728 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | [2530.00; 2530.00] | kPa |
|
| Pc | 2530.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Pc | 2530.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2530.00 | kPa | KDB |
| Pc | 2530.00 ± 50.00 | kPa | NIST |
| Pc | 2530.00 ± 20.00 | kPa | NIST |
| Pc | 2530.00 ± 20.00 | kPa | NIST |
| ρc | [251.00; 251.00] | kg/m3 |
|
| ρc | 251.00 ± 7.21 | kg/m3 | NIST |
| ρc | 251.00 ± 5.77 | kg/m3 | NIST |
| Inp | [1072.00; 1120.00] |
|
|
| Inp | 1091.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1108.70 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | Outlier 1072.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | Outlier 1120.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | Outlier 1120.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Ip | [1483.00; 1547.00] |
|
|
| Ip | 1488.00 | NIST | |
| Ip | 1489.00 | NIST | |
| Ip | 1508.00 | NIST | |
| Ip | 1511.00 | NIST | |
| Ip | 1547.00 | NIST | |
| Ip | 1524.00 | NIST | |
| Ip | 1528.00 | NIST | |
| Ip | 1521.00 | NIST | |
| Ip | 1545.00 | NIST | |
| Ip | 1532.00 | NIST | |
| Ip | 1505.00 | NIST | |
| Ip | 1533.00 | NIST | |
| Ip | 1534.00 | NIST | |
| Ip | 1532.00 | NIST | |
| Ip | 1514.00 | NIST | |
| Ip | Outlier 1483.00 | NIST | |
| Ip | 1520.00 | NIST | |
| Ip | 1521.00 | NIST | |
| Ip | 1524.00 | NIST | |
| Ip | 1485.00 | NIST | |
| Ip | 1528.00 | NIST | |
| Ip | 1528.00 | NIST | |
| Ip | 1509.00 | NIST | |
| Ip | 1535.00 | NIST | |
| Ip | 1515.00 | NIST | |
| Ip | 1535.00 | NIST | |
| Ip | 1535.00 | NIST | |
| Ip | 1535.00 | NIST | |
| Ip | 1537.00 | NIST | |
| Ip | 1508.00 | NIST | |
| Ip | 1530.00 | NIST | |
| Ip | 1510.00 | NIST | |
| Ip | 1499.00 | NIST | |
| Ip | 1525.00 | NIST | |
| Ip | 1518.00 | NIST | |
| Ip | 1538.00 | NIST | |
| Ip | 1522.00 | NIST | |
| Ip | 1530.00 | NIST | |
| Ip | Outlier 1484.00 | NIST | |
| Ip | 1519.00 | NIST | |
| Ip | 1490.00 | NIST | |
| Ip | 1528.00 | NIST | |
| Ip | 1528.00 | NIST | |
| Ip | 1522.00 | NIST | |
| Ip | 1516.00 | NIST | |
| Ip | 1521.00 | NIST | |
| Ip | 1499.00 | NIST | |
| Ip | 1518.00 | NIST | |
| Ip | 1521.00 | NIST | |
| Ip | Outlier 1484.00 | NIST | |
| Ip | 1521.00 | NIST | |
| Ip | 1509.00 | NIST | |
| Ip | 1488.00 | NIST | |
| Ip | 1508.00 | NIST | |
| Ip | 1518.00 | NIST | |
| Ip | 1519.00 | NIST | |
| Ip | 1528.00 | NIST | |
| Ip | 1499.00 | NIST | |
| Ip | 1509.00 | NIST | |
| Tboil | [465.65; 473.15] | K |
|
| Tboil | 466.70 | K | NIST |
| Tboil | 473.15 ± 5.00 | K | NIST |
| Tboil | 471.50 ± 0.60 | K | NIST |
| Tboil | 471.35 ± 1.00 | K | NIST |
| Tboil | 466.15 ± 3.00 | K | NIST |
| Tboil | 465.65 ± 5.00 | K | NIST |
| Tboil | 468.65 ± 3.00 | K | NIST |
| Tboil | 470.65 ± 3.00 | K | NIST |
| Tboil | 466.65 ± 3.00 | K | NIST |
| Tboil | 466.65 ± 5.00 | K | NIST |
| Tboil | 466.65 ± 3.00 | K | NIST |
| Tc | [649.10; 650.10] | K |
|
| Tc | 649.60 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Tc | 650.10 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 649.60 | K | KDB |
| Tc | 650.00 ± 1.00 | K | NIST |
| Tc | 650.10 ± 0.60 | K | NIST |
| Tc | 650.10 ± 0.60 | K | NIST |
| Tc | 649.50 | K | NIST |
| Tc | 649.10 ± 0.30 | K | NIST |
| Tfus | [237.98; 238.15] | K |
|
| Tfus | 238.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 237.98 | K | Aq. Solubility Prediction |
| Vc | [0.575; 0.575] | m3/kmol |
|
| Vc | 0.575 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Vc | 0.575 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.575 | m3/kmol | KDB |
| Vc | 0.575 | m3/kmol | NIST |
| Zc | [0.2690000; 0.2693430] |
|
|
| Zc | 0.2690000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value | |
| Zc | 0.2693430 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [55.50; 79.60] | kJ/mol | [303.00; 417.50] |
|
| ΔvapH | 79.60 | kJ/mol | 303.00 | NIST |
| ΔvapH | 55.50 | kJ/mol | 417.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.59; 502.86] | 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 | -1.68400e+00 | |||
| Coefficient B | 8.98740e-01 | |||
| Coefficient C | -4.99400e-04 | |||
| Coefficient D | 1.05200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 343.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 378.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 438.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 484.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 502.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0831904; 0.0002429] | Pa×s | [238.06; 454.83] |
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 | -1.47324e+01 | |||
| Coefficient B | 2.91529e+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. | 238.06 | |||
| Temperature range, max. | 454.83 | |||
| η | 0.0831904 | Pa×s | 238.06 | Calculated Property |
| η | 0.0270054 | Pa×s | 262.15 | Calculated Property |
| η | 0.0105939 | Pa×s | 286.24 | Calculated Property |
| η | 0.0048056 | Pa×s | 310.32 | Calculated Property |
| η | 0.0024428 | Pa×s | 334.41 | Calculated Property |
| η | 0.0013600 | Pa×s | 358.49 | Calculated Property |
| η | 0.0008150 | Pa×s | 382.58 | Calculated Property |
| η | 0.0005190 | Pa×s | 406.66 | Calculated Property |
| η | 0.0003476 | Pa×s | 430.75 | Calculated Property |
| η | 0.0002429 | Pa×s | 454.83 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [364.09; 493.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.64188e+01 | |||
| Coefficient B | -4.61124e+03 | |||
| Coefficient C | -7.82320e+01 | |||
| Temperature range, min. | 364.09 | |||
| Temperature range, max. | 493.39 | |||
| Pvap | 1.33 | kPa | 364.09 | Calculated Property |
| Pvap | 2.88 | kPa | 378.46 | Calculated Property |
| Pvap | 5.82 | kPa | 392.82 | Calculated Property |
| Pvap | 11.03 | kPa | 407.19 | Calculated Property |
| Pvap | 19.84 | kPa | 421.56 | Calculated Property |
| Pvap | 34.02 | kPa | 435.92 | Calculated Property |
| Pvap | 55.97 | kPa | 450.29 | Calculated Property |
| Pvap | 88.74 | kPa | 464.66 | Calculated Property |
| Pvap | 136.11 | kPa | 479.02 | Calculated Property |
| Pvap | 202.67 | kPa | 493.39 | Calculated Property |
| Pvap | [5.24e-06; 2379.40] | kPa | [238.51; 623.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35307e+02 | |||
| Coefficient B | -1.31543e+04 | |||
| Coefficient C | -1.69302e+01 | |||
| Coefficient D | 6.49313e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 238.51 | |||
| Temperature range, max. | 623.00 | |||
| Pvap | 5.24e-06 | kPa | 238.51 | Calculated Property |
| Pvap | 1.62e-03 | kPa | 281.23 | Calculated Property |
| Pvap | 0.08 | kPa | 323.95 | Calculated Property |
| Pvap | 1.41 | kPa | 366.67 | Calculated Property |
| Pvap | 11.41 | kPa | 409.39 | Calculated Property |
| Pvap | 56.21 | kPa | 452.12 | Calculated Property |
| Pvap | 195.40 | kPa | 494.84 | Calculated Property |
| Pvap | 529.58 | kPa | 537.56 | Calculated Property |
| Pvap | 1198.74 | kPa | 580.28 | Calculated Property |
| Pvap | 2379.40 | kPa | 623.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonanol.
Sources
- KDB Vapor Pressure Data
- 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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 ChEDL chemicals 1.5.2, from Gude, M.; Teja, A. S. Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols. J. Chem. Eng. Data 1995, 40, 1025-1036.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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