Chemical Properties of trans-Totarol, methyl ether

InChI

InChI=1S/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18?,21-/m1/s1

InChI Key

DORDKDUSCNWFPJ-BDPMCISCSA-N

Formula

C21H32O

SMILES

COc1ccc2c(c1C(C)C)CCC1C(C)(C)CCCC21C

Molecular Weight¹

300.48

• 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°	180.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.73	kJ/mol	Joback Calculated Property
ΔfusH°	21.23	kJ/mol	Joback Calculated Property
ΔvapH°	66.18	kJ/mol	Joback Calculated Property
log10WS	-6.29		Crippen Calculated Property
logPoct/wat	5.849		Crippen Calculated Property
McVol	267.140	ml/mol	McGowan Calculated Property
Pc	1490.74	kPa	Joback Calculated Property
Inp	[2234.00; 2243.00]
Inp	2234.00		NIST
Inp	2243.00		NIST
Inp	2234.00		NIST
Tboil	761.31	K	Joback Calculated Property
Tc	991.05	K	Joback Calculated Property
Tfus	470.04	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.37; 972.69]	J/mol×K	[761.31; 991.05]
Cp,gas	830.37	J/mol×K	761.31	Joback Calculated Property
Cp,gas	854.48	J/mol×K	799.60	Joback Calculated Property
Cp,gas	878.05	J/mol×K	837.89	Joback Calculated Property
Cp,gas	901.37	J/mol×K	876.18	Joback Calculated Property
Cp,gas	924.73	J/mol×K	914.47	Joback Calculated Property
Cp,gas	948.41	J/mol×K	952.76	Joback Calculated Property
Cp,gas	972.69	J/mol×K	991.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Totarol, methyl ether.

Sources

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

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