- InChI
- InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3
- InChI Key
- NTKBNCABAMQDIG-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CCCCOCCCO
- Molecular Weight1
- 132.20
- CAS
- 10215-33-5
- 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 | 0.7077 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.185 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Tboil | 465.60 | K | Relay (1.0) Calculated Property |
| Tc | 651.98 | K | Relay (1.0) Calculated Property |
| Tfus | 216.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.88; 417.64] | 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 | 2.73160e+01 | |||
| Coefficient B | 6.39620e-01 | |||
| Coefficient C | -2.76400e-04 | |||
| Coefficient D | 2.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 316.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 365.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 385.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 402.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 417.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0300573; 0.0002367] | Pa×s | [251.70; 444.48] |
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 | -1.46737e+01 | |||
| Coefficient B | 2.81124e+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. | 251.70 | |||
| Temperature range, max. | 444.48 | |||
| η | 0.0300573 | Pa×s | 251.70 | Calculated Property |
| η | 0.0125178 | Pa×s | 273.12 | Calculated Property |
| η | 0.0059216 | Pa×s | 294.54 | Calculated Property |
| η | 0.0031005 | Pa×s | 315.96 | Calculated Property |
| η | 0.0017624 | Pa×s | 337.38 | Calculated Property |
| η | 0.0010717 | Pa×s | 358.80 | Calculated Property |
| η | 0.0006892 | Pa×s | 380.22 | Calculated Property |
| η | 0.0004646 | Pa×s | 401.64 | Calculated Property |
| η | 0.0003260 | Pa×s | 423.06 | Calculated Property |
| η | 0.0002367 | Pa×s | 444.48 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [377.83; 467.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.20955e+01 | |||
| Coefficient B | -6.55365e+03 | |||
| Coefficient C | -7.73100e+01 | |||
| Temperature range, min. | 377.83 | |||
| Temperature range, max. | 467.78 | |||
| Pvap | 1.33 | kPa | 377.83 | Calculated Property |
| Pvap | 2.69 | kPa | 387.82 | Calculated Property |
| Pvap | 5.20 | kPa | 397.82 | Calculated Property |
| Pvap | 9.64 | kPa | 407.81 | Calculated Property |
| Pvap | 17.26 | kPa | 417.81 | Calculated Property |
| Pvap | 29.88 | kPa | 427.80 | Calculated Property |
| Pvap | 50.17 | kPa | 437.80 | Calculated Property |
| Pvap | 81.93 | kPa | 447.79 | Calculated Property |
| Pvap | 130.39 | kPa | 457.79 | Calculated Property |
| Pvap | 202.64 | kPa | 467.78 | Calculated Property |
Similar Compounds
![3-[3-(3-Methoxypropoxy)propoxy]-1-propanol.](data:image/png;base64,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)
Find more compounds similar to 3-butoxy-1-propanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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