- InChI
- InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
- InChI Key
- VUSWCWPCANWBFG-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- O=C(O)C1CC=CCC1
- Molecular Weight1
- 126.15
- CAS
- 4771-80-6
- Other Names
-
- «delta»3-Cyclohexenecarboxylic acid
- «delta»3-Cyclohexenylcarboxylic acid
- 1-Cyclohexene-4-carboxylic acid
- 3-Cyclohexenecarboxylic acid
- 1,2,3,6-Tetrahydrobenzoic acid
- Kyselina 1,2,5,6-tetrahydrobenzoova
- NSC 44712
- NSC 44883
- cyclohex-3-ene-1-carboxylic 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).
- I : Polar retention indices.
- 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 | 0.5438 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.427 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 4480.21 | kPa | Joback Calculated Property |
| I | 1360.00 | NIST | |
| Tboil | 501.45 | K | Relay (1.0) Calculated Property |
| Tc | 721.61 | K | Relay (1.0) Calculated Property |
| Tfus | 279.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.335 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.18; 292.72] | J/mol×K | [524.32; 728.64] | 
|
| Cp,gas | 232.18 | J/mol×K | 524.32 | Joback Calculated Property |
| Cp,gas | 243.89 | J/mol×K | 558.37 | Joback Calculated Property |
| Cp,gas | 254.93 | J/mol×K | 592.43 | Joback Calculated Property |
| Cp,gas | 265.31 | J/mol×K | 626.48 | Joback Calculated Property |
| Cp,gas | 275.06 | J/mol×K | 660.53 | Joback Calculated Property |
| Cp,gas | 284.19 | J/mol×K | 694.59 | Joback Calculated Property |
| Cp,gas | 292.72 | J/mol×K | 728.64 | Joback Calculated Property |
| η | [0.0001724; 0.0181175] | Pa×s | [287.54; 524.32] |
|
| η | 0.0181175 | Pa×s | 287.54 | Joback Calculated Property |
| η | 0.0052223 | Pa×s | 327.00 | Joback Calculated Property |
| η | 0.0019678 | Pa×s | 366.47 | Joback Calculated Property |
| η | 0.0008964 | Pa×s | 405.93 | Joback Calculated Property |
| η | 0.0004694 | Pa×s | 445.39 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 484.86 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 524.32 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 402.50 ± 1.50 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 3-Cyclohexene-1-carboxylic acid.
Sources
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