Chemical Properties of Opposit-7(11)-en-1«beta»,4«beta»-diol

InChI

InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h9,11-13,16-17H,5-8H2,1-4H3/t11-,12-,13?,14+,15+/m1/s1

InChI Key

FKMCEEHVCIIPLE-XQYPFIQKSA-N

Formula

C15H26O2

SMILES

CC(C)=CC1CCC2(C)C(O)CCC(C)(O)C12

Molecular Weight¹

238.37

• 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.
• I : 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°	-75.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-453.38	kJ/mol	Joback Calculated Property
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔvapH°	79.49	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	2.891		Crippen Calculated Property
McVol	207.930	ml/mol	McGowan Calculated Property
Pc	2287.14	kPa	Joback Calculated Property
Inp	[1756.00; 1756.00]
Inp	1756.00		NIST
Inp	1756.00		NIST
I	[2607.00; 2607.00]
I	2607.00		NIST
I	2607.00		NIST
Tboil	743.76	K	Joback Calculated Property
Tc	943.28	K	Joback Calculated Property
Tfus	421.81	K	Joback Calculated Property
Vc	0.777	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.13; 767.19]	J/mol×K	[743.76; 943.28]
Cp,gas	663.13	J/mol×K	743.76	Joback Calculated Property
Cp,gas	680.63	J/mol×K	777.01	Joback Calculated Property
Cp,gas	697.82	J/mol×K	810.27	Joback Calculated Property
Cp,gas	714.88	J/mol×K	843.52	Joback Calculated Property
Cp,gas	732.01	J/mol×K	876.77	Joback Calculated Property
Cp,gas	749.38	J/mol×K	910.03	Joback Calculated Property
Cp,gas	767.19	J/mol×K	943.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Opposit-7(11)-en-1«beta»,4«beta»-diol.

Sources

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

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