- InChI
- InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
- InChI Key
- CETWDUZRCINIHU-SSDOTTSWSA-N
- Formula
- C7H16O
- SMILES
- CCCCC[C@H](C)O
- Molecular Weight1
- 116.20
- CAS
- 6033-23-4
- Other Names
-
- (S)-(+)-2-Heptanol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6058 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.948 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Tboil | [422.65; 431.40] | K |
|
| Tboil | 422.70 | K | NIST |
| Tboil | 431.40 ± 3.00 | K | NIST |
| Tboil | 422.65 ± 2.00 | K | NIST |
| Tc | 592.98 | K | Relay (1.0) Calculated Property |
| Tfus | 241.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.00; 307.32] | J/mol×K | [451.50; 615.33] |
|
| Cp,gas | 248.00 | J/mol×K | 451.50 | Joback Calculated Property |
| Cp,gas | 258.87 | J/mol×K | 478.81 | Joback Calculated Property |
| Cp,gas | 269.34 | J/mol×K | 506.11 | Joback Calculated Property |
| Cp,gas | 279.40 | J/mol×K | 533.42 | Joback Calculated Property |
| Cp,gas | 289.08 | J/mol×K | 560.72 | Joback Calculated Property |
| Cp,gas | 298.38 | J/mol×K | 588.03 | Joback Calculated Property |
| Cp,gas | 307.32 | J/mol×K | 615.33 | Joback Calculated Property |
| η | [0.0002013; 0.1594974] | Pa×s | [214.47; 451.50] |
|
| η | 0.1594974 | Pa×s | 214.47 | Joback Calculated Property |
| η | 0.0220709 | Pa×s | 253.97 | Joback Calculated Property |
| η | 0.0052015 | Pa×s | 293.48 | Joback Calculated Property |
| η | 0.0017273 | Pa×s | 332.99 | Joback Calculated Property |
| η | 0.0007247 | Pa×s | 372.49 | Joback Calculated Property |
| η | 0.0003592 | Pa×s | 412.00 | Joback Calculated Property |
| η | 0.0002013 | Pa×s | 451.50 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 346.70 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [328.44; 444.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.69608e+01 | |||
| Coefficient B | -4.47910e+03 | |||
| Coefficient C | -5.98000e+01 | |||
| Temperature range, min. | 328.44 | |||
| Temperature range, max. | 444.29 | |||
| Pvap | 1.33 | kPa | 328.44 | Calculated Property |
| Pvap | 2.86 | kPa | 341.31 | Calculated Property |
| Pvap | 5.73 | kPa | 354.18 | Calculated Property |
| Pvap | 10.84 | kPa | 367.06 | Calculated Property |
| Pvap | 19.48 | kPa | 379.93 | Calculated Property |
| Pvap | 33.45 | kPa | 392.80 | Calculated Property |
| Pvap | 55.19 | kPa | 405.67 | Calculated Property |
| Pvap | 87.83 | kPa | 418.55 | Calculated Property |
| Pvap | 135.35 | kPa | 431.42 | Calculated Property |
| Pvap | 202.63 | kPa | 444.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptanol, (S)-.
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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