- InChI
- InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
- InChI Key
- XJPBRODHZKDRCB-CSKARUKUSA-N
- Formula
- C10H16
- SMILES
- C=CC(C)=CCCC(=C)C
- Molecular Weight1
- 136.23
- CAS
- 502-99-8
- Other Names
-
- (3E)-3,7-Dimethyl-1,3,7-octatriene
- 1,3,7-Octatrienene,3,7-dimethyl-
- 2,6-Dimethyl-1,5,7-octatriene
- 3,7-Dimethyl-1,3,7-octatriene
- 3,7-Dimethylocta-1,3,7-triene
- Ocimene
- alpha-Ocimene
- «alpha»-Ocimene
- «alpha»-Ocimene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | 272.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.475 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [1018.00; 1057.00] |
|
|
| Inp | 1050.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | Outlier 1018.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1039.50 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | Outlier 1026.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1052.00 | NIST | |
| I | [1232.00; 1259.00] |
|
|
| I | 1232.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1245.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1250.00 | NIST | |
| Tboil | 425.48 | K | Joback Calculated Property |
| Tc | 609.58 | K | Joback Calculated Property |
| Tfus | 165.94 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.94; 344.07] | J/mol×K | [425.48; 609.58] |
|
| Cp,gas | 267.94 | J/mol×K | 425.48 | Joback Calculated Property |
| Cp,gas | 282.35 | J/mol×K | 456.16 | Joback Calculated Property |
| Cp,gas | 296.03 | J/mol×K | 486.85 | Joback Calculated Property |
| Cp,gas | 309.00 | J/mol×K | 517.53 | Joback Calculated Property |
| Cp,gas | 321.31 | J/mol×K | 548.21 | Joback Calculated Property |
| Cp,gas | 332.99 | J/mol×K | 578.90 | Joback Calculated Property |
| Cp,gas | 344.07 | J/mol×K | 609.58 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [347.48; 478.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59500e+01 | |||
| Coefficient B | -4.35313e+03 | |||
| Coefficient C | -6.95440e+01 | |||
| Temperature range, min. | 347.48 | |||
| Temperature range, max. | 478.73 | |||
| Pvap | 1.33 | kPa | 347.48 | Calculated Property |
| Pvap | 2.91 | kPa | 362.06 | Calculated Property |
| Pvap | 5.90 | kPa | 376.65 | Calculated Property |
| Pvap | 11.22 | kPa | 391.23 | Calculated Property |
| Pvap | 20.18 | kPa | 405.81 | Calculated Property |
| Pvap | 34.56 | kPa | 420.40 | Calculated Property |
| Pvap | 56.70 | kPa | 434.98 | Calculated Property |
| Pvap | 89.56 | kPa | 449.56 | Calculated Property |
| Pvap | 136.77 | kPa | 464.15 | Calculated Property |
| Pvap | 202.64 | kPa | 478.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,7-Octatriene, 3,7-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.