- InChI
- InChI=1S/C9H17ClO2/c1-9(11)12-8-6-4-2-3-5-7-10/h2-8H2,1H3
- InChI Key
- LXRXULXXDBOGAE-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CC(=O)OCCCCCCCCl
- Molecular Weight1
- 192.69
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6187 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.739 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1329.00; 1354.00] |
|
|
| Inp | 1342.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Ip | [1846.00; 1904.00] |
|
|
| Ip | 1846.00 | NIST | |
| Ip | 1857.00 | NIST | |
| Ip | 1889.00 | NIST | |
| Ip | 1894.00 | NIST | |
| Ip | 1904.00 | NIST | |
| Ip | 1846.00 | NIST | |
| Tboil | 509.33 | K | Relay (1.0) Calculated Property |
| Tc | 695.94 | K | Relay (1.0) Calculated Property |
| Tfus | 250.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.15; 500.03] | 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 | 3.30070e+01 | |||
| Coefficient B | 8.10820e-01 | |||
| Coefficient C | -3.91600e-04 | |||
| Coefficient D | 4.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 417.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 443.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 465.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 484.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 500.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049516; 0.0002724] | Pa×s | [263.44; 474.21] |
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 | -1.18329e+01 | |||
| Coefficient B | 1.71892e+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. | 263.44 | |||
| Temperature range, max. | 474.21 | |||
| η | 0.0049516 | Pa×s | 263.44 | Calculated Property |
| η | 0.0029068 | Pa×s | 286.86 | Calculated Property |
| η | 0.0018492 | Pa×s | 310.28 | Calculated Property |
| η | 0.0012535 | Pa×s | 333.70 | Calculated Property |
| η | 0.0008942 | Pa×s | 357.11 | Calculated Property |
| η | 0.0006649 | Pa×s | 380.53 | Calculated Property |
| η | 0.0005117 | Pa×s | 403.95 | Calculated Property |
| η | 0.0004053 | Pa×s | 427.37 | Calculated Property |
| η | 0.0003289 | Pa×s | 450.79 | Calculated Property |
| η | 0.0002724 | Pa×s | 474.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanol, 7-chloro, acetate.
Sources
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