Chemical Properties of anastreptene

InChI

InChI=1S/C15H22/c1-9-5-6-11-14(4)8-7-10-12(13(10,2)3)15(9,11)14/h5,10-12H,6-8H2,1-4H3/t10-,11?,12+,14?,15-/m0/s1

InChI Key

SYNYVXGDEQOMCB-SEOXFTARSA-N

Formula

C15H22

SMILES

CC1=CCC2C3(C)CCC4C(C4(C)C)C123

Molecular Weight¹

202.34

Other Names

• (+)-Anastreptene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3263		Relay (... Calculated Property
ΔfG°	318.96	kJ/mol	Joback Calculated Property
ΔfH°gas	158.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.33	kJ/mol	Joback Calculated Property
ΔvapH°	62.81	kJ/mol	Relay (... Calculated Property
IE	7.88	eV	Relay (... Calculated Property
log10WS	-5.31		Relay (... Calculated Property
logPoct/wat	4.025		Crippen Calculated Property
McVol	174.470	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1370.00; 1405.00]
Inp	1391.00		NIST
Inp	1403.00		NIST
Inp	1405.00		NIST
Inp	1400.00		NIST
Inp	1404.00		NIST
Inp	1404.00		NIST
Inp	1403.60		NIST
Inp	1403.00		NIST
Inp	Outlier 1370.00		NIST
Inp	1391.00		NIST
Inp	1391.00		NIST
I	[1564.00; 1582.00]
I	1568.00		NIST
I	1570.00		NIST
I	Outlier 1582.00		NIST
I	1564.00		NIST
I	1564.00		NIST
I	1564.00		NIST
I	1569.00		NIST
I	1575.00		NIST
I	1577.00		NIST
I	1579.00		NIST
I	1568.00		NIST
I	1568.00		NIST
I	1564.00		NIST
Tboil	509.76	K	Relay (... Calculated Property
Tc	780.85	K	Relay (... Calculated Property
Tfus	332.49	K	Relay (... Calculated Property
Vc	0.636	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.78; 592.97]	J/mol×K	[560.81; 788.13]
Cp,gas	484.78	J/mol×K	560.81	Joback Calculated Property
Cp,gas	505.53	J/mol×K	598.70	Joback Calculated Property
Cp,gas	524.57	J/mol×K	636.58	Joback Calculated Property
Cp,gas	542.38	J/mol×K	674.47	Joback Calculated Property
Cp,gas	559.40	J/mol×K	712.36	Joback Calculated Property
Cp,gas	576.11	J/mol×K	750.24	Joback Calculated Property
Cp,gas	592.97	J/mol×K	788.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to anastreptene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.