Chemical Properties of Guaia-3,7-diene

InChI

InChI=1S/C16H26/c1-11-6-8-13(16(3,4)5)10-15-12(2)7-9-14(11)15/h7-8,11,14-15H,6,9-10H2,1-5H3

InChI Key

QAUZVGPDSDIYTH-UHFFFAOYSA-N

Formula

C16H26

SMILES

CC1=CCC2C(C)CC=C(C(C)(C)C)CC12

Molecular Weight¹

218.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.39	kJ/mol	Joback Calculated Property
logPoct/wat	4.971		Crippen Calculated Property
McVol	205.980	ml/mol	McGowan Calculated Property
Inp	[1474.00; 1474.00]
Inp	1474.00		NIST
Inp	1474.00		NIST
Ip	1811.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.41; 750.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.07000e+02
Coefficient B			1.65560e+00
Coefficient C			-1.05828e-03
Coefficient D			2.60500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.41	J/mol×K	273.00	Calculated Property
Cp,gas	357.80	J/mol×K	353.78	Calculated Property
Cp,gas	433.98	J/mol×K	434.56	Calculated Property
Cp,gas	500.79	J/mol×K	515.33	Calculated Property
Cp,gas	559.04	J/mol×K	596.11	Calculated Property
Cp,gas	609.57	J/mol×K	676.89	Calculated Property
Cp,gas	653.18	J/mol×K	757.67	Calculated Property
Cp,gas	690.71	J/mol×K	838.44	Calculated Property
Cp,gas	722.98	J/mol×K	919.22	Calculated Property
Cp,gas	750.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022427; 0.0003406]	Pa×s	[316.62; 571.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.03247e+01
Coefficient B			1.33761e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			316.62
Temperature range, max.			571.67
η	0.0022427	Pa×s	316.62	Calculated Property
η	0.0015850	Pa×s	344.96	Calculated Property
η	0.0011808	Pa×s	373.30	Calculated Property
η	0.0009170	Pa×s	401.64	Calculated Property
η	0.0007363	Pa×s	429.98	Calculated Property
η	0.0006075	Pa×s	458.32	Calculated Property
η	0.0005125	Pa×s	486.66	Calculated Property
η	0.0004406	Pa×s	514.99	Calculated Property
η	0.0003848	Pa×s	543.33	Calculated Property
η	0.0003406	Pa×s	571.67	Calculated Property

Similar Compounds

Find more compounds similar to Guaia-3,7-diene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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