Chemical Properties of cis-3,14-Clerodadien-13-ol (CAS 374925-73-2)

InChI

InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3

InChI Key

YBDUXZKWDIUNSG-UHFFFAOYSA-N

Formula

C20H34O

SMILES

C=CC(C)(O)CCC1(C)C(C)CCC2(C)C(C)=CCCC21

Molecular Weight¹

290.48

CAS

374925-73-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	138.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-334.61	kJ/mol	Joback Calculated Property
ΔfusH°	21.20	kJ/mol	Joback Calculated Property
ΔvapH°	73.38	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.502		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Pc	1502.31	kPa	Joback Calculated Property
Inp	[2051.40; 2051.40]
Inp	2051.40		NIST
Inp	2051.40		NIST
Tboil	768.47	K	Joback Calculated Property
Tc	976.99	K	Joback Calculated Property
Tfus	451.04	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.48; 988.08]	J/mol×K	[768.47; 976.99]
Cp,gas	858.48	J/mol×K	768.47	Joback Calculated Property
Cp,gas	880.47	J/mol×K	803.22	Joback Calculated Property
Cp,gas	901.99	J/mol×K	837.98	Joback Calculated Property
Cp,gas	923.28	J/mol×K	872.73	Joback Calculated Property
Cp,gas	944.57	J/mol×K	907.49	Joback Calculated Property
Cp,gas	966.09	J/mol×K	942.24	Joback Calculated Property
Cp,gas	988.08	J/mol×K	976.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3,14-Clerodadien-13-ol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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