Chemical Properties of 1,3,5(10)-Oestratriene

InChI

InChI=1S/C18H24/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h2-3,5-6,15-17H,4,7-12H2,1H3/t15-,16-,17+,18+/m0/s1

InChI Key

HLCRYAZDZCJZFG-WNRNVDISSA-N

Formula

C18H24

SMILES

CC12CCCC1C1CCc3ccccc3C1CC2

Molecular Weight¹

240.38

• 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°	348.31	kJ/mol	Joback Calculated Property
ΔfH°gas	11.19	kJ/mol	Joback Calculated Property
ΔfusH°	21.01	kJ/mol	Joback Calculated Property
ΔvapH°	57.22	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.933		Crippen Calculated Property
McVol	208.140	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[2020.00; 2075.00]
Inp	2020.00		NIST
Inp	2075.00		NIST
Tboil	667.23	K	Joback Calculated Property
Tc	915.18	K	Joback Calculated Property
Tfus	398.00	K	Joback Calculated Property
Vc	0.787	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.13; 743.26]	J/mol×K	[667.23; 915.18]
Cp,gas	616.13	J/mol×K	667.23	Joback Calculated Property
Cp,gas	640.17	J/mol×K	708.55	Joback Calculated Property
Cp,gas	662.68	J/mol×K	749.88	Joback Calculated Property
Cp,gas	683.93	J/mol×K	791.20	Joback Calculated Property
Cp,gas	704.25	J/mol×K	832.53	Joback Calculated Property
Cp,gas	723.92	J/mol×K	873.85	Joback Calculated Property
Cp,gas	743.26	J/mol×K	915.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5(10)-Oestratriene.

Sources

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

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