Chemical Properties of 5-Hepten-2-ol, 6-methyl- (CAS 1569-60-4)

5-Hepten-2-ol, 6-methyl-

InChI
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
InChI Key
OHEFFKYYKJVVOX-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CC(C)=CCCC(C)O
Molecular Weight1
128.21
CAS
1569-60-4
Other Names
  • (.+/-.)-6-Methyl-5-hepten-2-ol
  • 2-Methyl-2-hepten-6-ol
  • 6-Methyl-5-hepten-2-ol
  • 6-Methylhept-5-en-2-ol (Sulcatol)
  • 6-methylhept-5-en-2-ol
  • DL-6-Methyl-5-hepten-2-ol
  • Methylheptenol
  • NSC 66273
  • Sulcatol
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Physical Properties

Property Value Unit Source
ΔfH°gas -303.06 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 15.93 kJ/mol Joback Calculated Property
ΔvapH° 64.80 kJ/mol Relay (1.0) Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -1.35 Relay (1.0) Calculated Property
logPoct/wat 2.114 Crippen Calculated Property
McVol 125.150 ml/mol McGowan Calculated Property
Pc 2989.32 kPa Joback Calculated Property
Inp [963.00; 1002.90]   Show Hide
Inp 979.00 NIST
Inp 979.00 NIST
Inp 973.10 NIST
Inp 973.10 NIST
Inp 993.00 NIST
Inp 994.00 NIST
Inp 985.00 NIST
Inp 995.00 NIST
Inp 975.00 NIST
Inp Outlier 963.00 NIST
Inp 1002.90 NIST
Inp 993.00 NIST
Inp 997.00 NIST
Inp 974.00 NIST
Inp 974.00 NIST
Inp 993.00 NIST
Inp 998.00 NIST
Inp 995.00 NIST
Inp 992.00 NIST
Inp 995.00 NIST
Inp 997.00 NIST
Inp 993.00 NIST
Inp 985.00 NIST
Inp 993.00 NIST
Inp 997.00 NIST
Ip [1431.00; 1488.00]   Show Hide
Ip 1464.00 NIST
Ip 1468.00 NIST
Ip 1468.00 NIST
Ip 1466.00 NIST
Ip 1469.00 NIST
Ip 1451.00 NIST
Ip 1446.00 NIST
Ip 1465.00 NIST
Ip 1461.00 NIST
Ip 1454.00 NIST
Ip 1466.00 NIST
Ip Outlier 1488.00 NIST
Ip 1466.00 NIST
Ip 1460.00 NIST
Ip 1462.00 NIST
Ip 1473.00 NIST
Ip 1468.00 NIST
Ip 1462.00 NIST
Ip 1452.00 NIST
Ip 1471.00 NIST
Ip 1471.00 NIST
Ip 1443.00 NIST
Ip 1443.00 NIST
Ip Outlier 1431.00 NIST
Ip 1467.00 NIST
Ip 1450.00 NIST
Ip 1454.00 NIST
Ip 1473.00 NIST
Ip 1478.00 NIST
Ip 1461.00 NIST
Ip 1464.00 NIST
Ip 1451.00 NIST
Ip 1466.00 NIST
Ip 1473.00 NIST
Ip 1471.00 NIST
Ip 1450.00 NIST
Tboil 450.37 K Relay (1.0) Calculated Property
Tc 616.86 K Relay (1.0) Calculated Property
Tfus 223.19 K Relay (1.0) Calculated Property
Vc 0.460 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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
ΔvapH 57.00 kJ/mol 381.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 352.00 ± 1.00 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [173.53; 420.41] 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-1.46480e+01
Coefficient B8.23660e-01
Coefficient C-5.31100e-04
Coefficient D1.42500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 173.53 J/mol×K 273.00 Calculated Property
Cp,gas 216.58 J/mol×K 353.78 Calculated Property
Cp,gas 254.68 J/mol×K 434.56 Calculated Property
Cp,gas 288.27 J/mol×K 515.33 Calculated Property
Cp,gas 317.80 J/mol×K 596.11 Calculated Property
Cp,gas 343.73 J/mol×K 676.89 Calculated Property
Cp,gas 366.51 J/mol×K 757.67 Calculated Property
Cp,gas 386.58 J/mol×K 838.44 Calculated Property
Cp,gas 404.40 J/mol×K 919.22 Calculated Property
Cp,gas 420.41 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [345.32; 508.99] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38593e+01
Coefficient B-3.77935e+03
Coefficient C-6.68480e+01
Temperature range, min.345.32
Temperature range, max.508.99
Pvap 1.33 kPa 345.32 Calculated Property
Pvap 3.06 kPa 363.51 Calculated Property
Pvap 6.39 kPa 381.69 Calculated Property
Pvap 12.32 kPa 399.88 Calculated Property
Pvap 22.16 kPa 418.06 Calculated Property
Pvap 37.65 kPa 436.25 Calculated Property
Pvap 60.84 kPa 454.43 Calculated Property
Pvap 94.19 kPa 472.62 Calculated Property
Pvap 140.45 kPa 490.80 Calculated Property
Pvap 202.65 kPa 508.99 Calculated Property
Pvap [0.14; 101.04] kPa [315.10; 447.50] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A2.06967e+01
Coefficient B-7.30657e+03
Coefficient C6.85600e+00
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.315.10
Temperature range, max.447.50
Pvap 0.14 kPa 315.10 Calculated Property
Pvap 0.37 kPa 329.81 Calculated Property
Pvap 0.91 kPa 344.52 Calculated Property
Pvap 2.09 kPa 359.23 Calculated Property
Pvap 4.52 kPa 373.94 Calculated Property
Pvap 9.23 kPa 388.66 Calculated Property
Pvap 17.91 kPa 403.37 Calculated Property
Pvap 33.18 kPa 418.08 Calculated Property
Pvap 58.99 kPa 432.79 Calculated Property
Pvap 101.04 kPa 447.50 Calculated Property

Similar Compounds

5,9-Undecadien-2-ol, 6,10-dimethyl-. nerylacetol [6,10-dimethyl-(Z)-5,9-undecadien-2-ol]. 5-Hexen-2-ol. (6Z,8E)-6,8,10-Undecatrien-3-ol. 1,2-Dihydrolinalool. 6-Hepten-3-ol. 1,6-Octadien-3-ol. 3-Cyclohexen-1-ol, 3-methyl-. ethyl linalool 1. 7-Octen-4-ol. 5,9-Dimethyl-8-decen-3-ol. (6E,8E)-6,8,10-Undecatrien-3-ol. 3-Cyclohexen-1-ol. 2-Octen-4-ol, 2-methyl-. 7-Octen-2-ol.

Find more compounds similar to 5-Hepten-2-ol, 6-methyl-.

Sources

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