- InChI
- InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
- InChI Key
- RWNJOXUVHRXHSD-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CCCCCC(=O)O
- Molecular Weight1
- 128.17
- CAS
- 1119-60-4
- Other Names
-
- hept-6-enoic acid
- 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 | 0.6826 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | [496.20; 499.20] | K |
|
| Tboil | 496.20 | K | NIST |
| Tboil | 499.20 | K | NIST |
| Tc | 687.75 | K | Relay (1.0) Calculated Property |
| Tfus | 250.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.72; 297.64] | J/mol×K | [502.29; 675.50] |
|
| Cp,gas | 247.72 | J/mol×K | 502.29 | Joback Calculated Property |
| Cp,gas | 257.03 | J/mol×K | 531.16 | Joback Calculated Property |
| Cp,gas | 265.93 | J/mol×K | 560.03 | Joback Calculated Property |
| Cp,gas | 274.42 | J/mol×K | 588.90 | Joback Calculated Property |
| Cp,gas | 282.53 | J/mol×K | 617.76 | Joback Calculated Property |
| Cp,gas | 290.26 | J/mol×K | 646.63 | Joback Calculated Property |
| Cp,gas | 297.64 | J/mol×K | 675.50 | Joback Calculated Property |
| η | [0.0001807; 0.0184100] | Pa×s | [277.64; 502.29] |
|
| η | 0.0184100 | Pa×s | 277.64 | Joback Calculated Property |
| η | 0.0053894 | Pa×s | 315.08 | Joback Calculated Property |
| η | 0.0020481 | Pa×s | 352.52 | Joback Calculated Property |
| η | 0.0009373 | Pa×s | 389.96 | Joback Calculated Property |
| η | 0.0004919 | Pa×s | 427.41 | Joback Calculated Property |
| η | 0.0002864 | Pa×s | 464.85 | Joback Calculated Property |
| η | 0.0001807 | Pa×s | 502.29 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 398.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [381.32; 542.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47281e+01 | |||
| Coefficient B | -4.35246e+03 | |||
| Coefficient C | -7.99140e+01 | |||
| Temperature range, min. | 381.32 | |||
| Temperature range, max. | 542.12 | |||
| Pvap | 1.33 | kPa | 381.32 | Calculated Property |
| Pvap | 2.99 | kPa | 399.19 | Calculated Property |
| Pvap | 6.16 | kPa | 417.05 | Calculated Property |
| Pvap | 11.80 | kPa | 434.92 | Calculated Property |
| Pvap | 21.23 | kPa | 452.79 | Calculated Property |
| Pvap | 36.20 | kPa | 470.65 | Calculated Property |
| Pvap | 58.92 | kPa | 488.52 | Calculated Property |
| Pvap | 92.05 | kPa | 506.39 | Calculated Property |
| Pvap | 138.76 | kPa | 524.25 | Calculated Property |
| Pvap | 202.63 | kPa | 542.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heptenoic acid.
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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