Chemical Properties of 3-Carene (CAS 13466-78-9)

3-Carene

InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
InChI Key
BQOFWKZOCNGFEC-DTWKUNHWSA-N
Formula
C10H16
SMILES
CC1=CCC2C(C1)C2(C)C
Molecular Weight1
136.23
CAS
13466-78-9
Other Names
  • (+)-car-3-ene
  • (.+-.)-3-carene
  • .DELTA.3-carene
  • 3,7,7-Trimethylbicyclo[4.1.0]-3-heptene
  • 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
  • 3-Karen
  • 3-Norcarene, 3,7,7-trimethyl-
  • 3-«delta»-Carene
  • 4,7,7-trimethyl-3-norcarene
  • Car-3-ene
  • Carene
  • bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-
  • delta-3-Carene
  • «DELTA»-car-3-ene
  • «delta» 3-carene
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Physical Properties

Property Value Unit Source
ΔcH°liquid -6192.20 ± 1.80 kJ/mol NIST
ΔfH°gas 19.00 ± 4.00 kJ/mol NIST
ΔfH°liquid -29.50 ± 1.90 kJ/mol NIST
ΔfusH° 11.43 kJ/mol Joback Calculated Property
ΔvapH° [48.30; 48.50] kJ/mol Show Hide
ΔvapH° 48.30 ± 3.10 kJ/mol NIST
ΔvapH° 48.50 kJ/mol NIST
IE [8.40; 8.61] eV Show Hide
IE 8.40 eV NIST
IE 8.61 eV NIST
logPoct/wat 2.999 Crippen Calculated Property
McVol 125.740 ml/mol McGowan Calculated Property
Inp [991.00; 1040.00]   Show Hide
Inp 1009.00 NIST
Inp 1011.00 NIST
Inp 1022.00 NIST
Inp Outlier 993.00 NIST
Inp Outlier 1026.00 NIST
Inp 1011.50 NIST
Inp 1015.30 NIST
Inp 1021.50 NIST
Inp 1009.10 NIST
Inp 1020.90 NIST
Inp 999.00 NIST
Inp 1013.00 NIST
Inp 1011.00 NIST
Inp 1009.00 NIST
Inp 1013.00 NIST
Inp 1007.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1010.00 NIST
Inp Outlier 1031.00 NIST
Inp 1012.00 NIST
Inp 1009.00 NIST
Inp 1001.00 NIST
Inp 1005.00 NIST
Inp Outlier 1028.00 NIST
Inp 1007.00 NIST
Inp 1007.00 NIST
Inp 1018.00 NIST
Inp 1011.00 NIST
Inp 1015.00 NIST
Inp 1020.00 NIST
Inp 1011.00 NIST
Inp 1003.00 NIST
Inp 1007.00 NIST
Inp 1005.00 NIST
Inp 1010.00 NIST
Inp 1008.00 NIST
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Inp 1000.00 NIST
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Inp 1000.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1004.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1003.00 NIST
Inp 999.00 NIST
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Inp 1003.00 NIST
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Inp 1005.00 NIST
Inp 1011.00 NIST
Inp Outlier 1035.00 NIST
Inp Outlier 1025.00 NIST
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Inp 1016.30 NIST
Inp 1002.00 NIST
Inp Outlier 1031.00 NIST
Inp 1002.00 NIST
Inp 1010.00 NIST
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Inp 1010.00 NIST
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Inp 1008.00 NIST
Inp 1005.00 NIST
Inp Outlier 1036.00 NIST
Inp 1016.00 NIST
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Inp 1007.00 NIST
Inp Outlier 1025.00 NIST
Inp 1012.00 NIST
Inp 1006.00 NIST
Inp 1009.00 NIST
Inp 1011.00 NIST
Inp 999.00 NIST
Inp 1001.00 NIST
Inp 1020.00 NIST
Inp Outlier 994.00 NIST
Inp 1004.00 NIST
Inp 1013.00 NIST
Inp 998.00 NIST
Inp 1003.00 NIST
Inp Outlier 1032.00 NIST
Inp 1011.00 NIST
Inp 1001.00 NIST
Inp 1008.00 NIST
Inp 1002.00 NIST
Inp 1008.00 NIST
Inp 1011.00 NIST
Inp 1007.00 NIST
Inp 997.00 NIST
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Inp 1007.00 NIST
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Inp 1001.00 NIST
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Inp 1015.00 NIST
Inp 1015.00 NIST
Inp 1012.00 NIST
Inp 1001.00 NIST
Inp Outlier 992.00 NIST
Inp 1005.00 NIST
Inp 1006.00 NIST
Inp 997.00 NIST
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Inp 1012.00 NIST
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Inp 1008.00 NIST
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Inp 1012.00 NIST
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Inp 1009.00 NIST
Inp 1010.00 NIST
Inp 996.00 NIST
Inp 999.40 NIST
Inp 1013.00 NIST
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Inp 1019.40 NIST
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Inp 1013.80 NIST
Inp 1014.72 NIST
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Inp 1014.00 NIST
Inp Outlier 1031.00 NIST
Inp 1007.00 NIST
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Inp 1000.00 NIST
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Inp 1003.00 NIST
Inp Outlier 1031.00 NIST
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Inp 1006.00 NIST
Inp 1012.00 NIST
Inp Outlier 1026.00 NIST
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Inp Outlier 1028.00 NIST
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Inp 1009.00 NIST
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Inp 1008.00 NIST
Inp Outlier 1031.00 NIST
Inp Outlier 1032.00 NIST
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Inp Outlier 1026.00 NIST
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Inp Outlier 1031.00 NIST
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Inp 1007.00 NIST
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Inp 1011.00 NIST
Inp 1012.00 NIST
Inp 1014.00 NIST
Inp 1010.00 NIST
Inp 998.00 NIST
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Inp 1001.00 NIST
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Inp 1013.00 NIST
Inp Outlier 1030.00 NIST
Inp 1011.00 NIST
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Inp 1011.00 NIST
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Inp 998.00 NIST
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Inp 1021.00 NIST
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Inp Outlier 1030.00 NIST
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Inp Outlier 1032.00 NIST
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Inp Outlier 1031.00 NIST
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Inp 1009.00 NIST
Inp 1017.00 NIST
Inp Outlier 1027.00 NIST
Inp 999.00 NIST
Inp 1011.00 NIST
Inp 1007.00 NIST
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Inp 1004.00 NIST
Inp 1010.00 NIST
Inp 1003.00 NIST
Inp 1009.00 NIST
Inp 1010.00 NIST
Inp Outlier 991.00 NIST
Inp 1006.00 NIST
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Inp 1011.00 NIST
Inp 1010.00 NIST
Inp 1000.00 NIST
Inp 1005.00 NIST
Inp 1019.00 NIST
Inp 1019.00 NIST
Inp Outlier 992.00 NIST
Inp 1012.00 NIST
Inp 1009.00 NIST
Inp 1009.00 NIST
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Inp 1009.00 NIST
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Inp 1007.00 NIST
Inp 1022.00 NIST
Inp 998.00 NIST
Inp Outlier 994.00 NIST
Inp 1009.00 NIST
Inp Outlier 1040.00 NIST
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Inp 1001.00 NIST
Inp 1012.00 NIST
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Inp 1011.00 NIST
Inp 1010.00 NIST
Inp 996.00 NIST
Inp 1001.00 NIST
Inp 1006.00 NIST
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Inp 1010.00 NIST
Inp 1010.00 NIST
Inp 1010.00 NIST
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Inp 999.00 NIST
Inp 1007.00 NIST
Inp 1006.00 NIST
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Inp 1023.00 NIST
Inp 1011.00 NIST
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Inp 1005.00 NIST
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Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1005.00 NIST
Inp 1009.00 NIST
Inp 1005.00 NIST
Inp 1007.00 NIST
Inp 1004.00 NIST
Inp Outlier 1038.00 NIST
Inp 1000.00 NIST
Inp 1005.00 NIST
Inp 1010.00 NIST
Inp 1007.00 NIST
Inp 1010.00 NIST
Inp 1013.00 NIST
Inp 1009.00 NIST
Inp Outlier 1031.00 NIST
Inp 1007.00 NIST
Inp Outlier 1027.00 NIST
Inp Outlier 1031.00 NIST
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Inp 1004.00 NIST
Inp 1014.00 NIST
Inp 1011.00 NIST
Inp 1006.00 NIST
Inp 1009.00 NIST
Inp 1006.00 NIST
Inp 1004.00 NIST
Inp 1000.00 NIST
Inp Outlier 994.00 NIST
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Inp 1000.00 NIST
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Inp 1005.00 NIST
Inp Outlier 1034.00 NIST
Inp 1008.00 NIST
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Inp 1000.00 NIST
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Inp 1001.00 NIST
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Inp 999.00 NIST
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Inp Outlier 1031.00 NIST
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Inp Outlier 1026.00 NIST
Ip [1100.00; 1189.00]   Show Hide
Ip 1166.00 NIST
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Ip Outlier 1189.00 NIST
Ip Outlier 1117.00 NIST
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Ip Outlier 1118.00 NIST
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Ip Outlier 1180.00 NIST
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Ip Outlier 1112.00 NIST
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Ip Outlier 1100.00 NIST
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Ip Outlier 1118.00 NIST
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Ip Outlier 1114.00 NIST
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Ip Outlier 1112.00 NIST
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Ip Outlier 1107.00 NIST
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Ip Outlier 1116.00 NIST
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Ip 1158.00 NIST
Ip 1156.00 NIST
Ip 1150.00 NIST
Ip Outlier 1116.00 NIST
Tboil [442.00; 446.50] K Show Hide
Tboil 442.62 K Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Camphene, (+)-3-Carene, and (+-)-Limonene Systems
Tboil 442.56 K Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Camphene, (+)-3-Carene, and (+-)-Limonene Systems
Tboil 446.50 ± 2.00 K NIST
Tboil 443.00 ± 4.00 K NIST
Tboil 442.00 ± 3.00 K NIST
Tc 658.00 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Vc 0.487 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Pvap [101.33; 101.33] kPa [442.56; 442.62] Show Hide
Pvap 101.33 kPa 442.56 Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Camphene, (+)-3-Carene, and (+-)-Limonene Systems
Pvap 101.33 kPa 442.62 Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Camphene, (+)-3-Carene, and (+-)-Limonene Systems
ρl 863.80 kg/m3 298.15 Measurement and correlation of vapor-liquid equilibrium data for binary and ternary systems composed of (-)-beta-caryophyllene, p-cymene and 3-carene at 101.33 kPa

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 441.70 K 94.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [160.26; 476.14] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.33780e+02
Coefficient B1.39596e+00
Coefficient C-1.31164e-03
Coefficient D5.25600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 160.26 J/mol×K 273.00 Calculated Property
Cp,gas 219.19 J/mol×K 353.78 Calculated Property
Cp,gas 268.29 J/mol×K 434.56 Calculated Property
Cp,gas 309.21 J/mol×K 515.33 Calculated Property
Cp,gas 343.61 J/mol×K 596.11 Calculated Property
Cp,gas 373.17 J/mol×K 676.89 Calculated Property
Cp,gas 399.54 J/mol×K 757.67 Calculated Property
Cp,gas 424.38 J/mol×K 838.44 Calculated Property
Cp,gas 449.36 J/mol×K 919.22 Calculated Property
Cp,gas 476.14 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [325.62; 477.92] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.33597e+01
Coefficient B-3.18950e+03
Coefficient C-8.16270e+01
Temperature range, min.325.62
Temperature range, max.477.92
Pvap 1.33 kPa 325.62 Calculated Property
Pvap 3.11 kPa 342.54 Calculated Property
Pvap 6.55 kPa 359.46 Calculated Property
Pvap 12.67 kPa 376.39 Calculated Property
Pvap 22.79 kPa 393.31 Calculated Property
Pvap 38.61 kPa 410.23 Calculated Property
Pvap 62.11 kPa 427.15 Calculated Property
Pvap 95.57 kPa 444.08 Calculated Property
Pvap 141.51 kPa 461.00 Calculated Property
Pvap 202.63 kPa 477.92 Calculated Property

Similar Compounds

(+)-3-Carene. (+)-2-Carene. 2-Carene. 1,5-cis-Aromadendr-9-ene. Alloaromadendr-9-ene. Dehydroaromadendrene. (+)-Isobicyclogermacrene. Isobicyclogermacrene. Isolepidozene. Lepidozene. cis-Bicyclogermacradiene. Bicyclogermacrene. trans-Bicyclogermacradiene. Bicyclogermacrene. 4-methyl-3-carene.

Find more compounds similar to 3-Carene.

Mixtures

Sources

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