Chemical Properties of Cadina-1,4-dien-3-ol

InChI

InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,14-16H,5-6H2,1-4H3

InChI Key

PDDMWQFBZZFOQR-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1=CC2C(=CC1O)C(C)CCC2C(C)C

Molecular Weight¹

220.35

Other Names

• Cadina-1,4-diene-3-ol

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.85	kJ/mol	Joback Calculated Property
ΔvapH°	88.83	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.552		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Inp	[1627.00; 1658.00]
Inp	1658.00		NIST
Inp	1656.00		NIST
Inp	1658.00		NIST
Inp	1627.00		NIST
Inp	1628.00		NIST
Inp	1658.00		NIST
Inp	1628.00		NIST
Inp	1656.00		NIST
Tboil	550.36	K	Relay (1.0) Calculated Property
Tc	781.04	K	Relay (1.0) Calculated Property
Tfus	369.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[266.10; 723.63]	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			-7.20700e+01
Coefficient B			1.44818e+00
Coefficient C			-8.10280e-04
Coefficient D			1.57800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.10	J/mol×K	273.00	Calculated Property
Cp,gas	345.84	J/mol×K	353.78	Calculated Property
Cp,gas	417.18	J/mol×K	434.56	Calculated Property
Cp,gas	480.64	J/mol×K	515.33	Calculated Property
Cp,gas	536.70	J/mol×K	596.11	Calculated Property
Cp,gas	585.87	J/mol×K	676.89	Calculated Property
Cp,gas	628.65	J/mol×K	757.67	Calculated Property
Cp,gas	665.54	J/mol×K	838.44	Calculated Property
Cp,gas	697.03	J/mol×K	919.22	Calculated Property
Cp,gas	723.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043769; 0.0001887]	Pa×s	[344.51; 605.55]	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			-1.27248e+01
Coefficient B			2.51263e+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.			344.51
Temperature range, max.			605.55
η	0.0043769	Pa×s	344.51	Calculated Property
η	0.0024843	Pa×s	373.51	Calculated Property
η	0.0015300	Pa×s	402.52	Calculated Property
η	0.0010057	Pa×s	431.52	Calculated Property
η	0.0006970	Pa×s	460.53	Calculated Property
η	0.0005044	Pa×s	489.53	Calculated Property
η	0.0003786	Pa×s	518.54	Calculated Property
η	0.0002929	Pa×s	547.54	Calculated Property
η	0.0002325	Pa×s	576.55	Calculated Property
η	0.0001887	Pa×s	605.55	Calculated Property

Similar Compounds

Find more compounds similar to Cadina-1,4-dien-3-ol.

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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