Chemical Properties of Cyperadiene (CAS 394217-21-1)

InChI

InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-13H,1,5-6,9H2,2-4H3

InChI Key

KZABVHBACHSSNR-UHFFFAOYSA-N

Formula

C15H22

SMILES

C=C1C=CC23C(C)CCC(CC12)C3(C)C

Molecular Weight¹

202.34

CAS

394217-21-1

• 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.
• 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	0.3050		Relay (... Calculated Property
ΔfG°	290.11	kJ/mol	Joback Calculated Property
ΔfH°gas	83.01	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.42	kJ/mol	Joback Calculated Property
ΔvapH°	60.55	kJ/mol	Relay (... Calculated Property
IE	8.03	eV	Relay (... Calculated Property
log10WS	-5.12		Relay (... Calculated Property
logPoct/wat	4.191		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[1366.00; 1442.70]
Inp	1442.70		NIST
Inp	1366.00		NIST
Inp	1366.00		NIST
Tboil	518.94	K	Relay (... Calculated Property
Tc	769.26	K	Relay (... Calculated Property
Tfus	323.05	K	Relay (... Calculated Property
Vc	0.623	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[482.51; 597.39]	J/mol×K	[560.82; 787.28]
Cp,gas	482.51	J/mol×K	560.82	Joback Calculated Property
Cp,gas	504.64	J/mol×K	598.56	Joback Calculated Property
Cp,gas	525.18	J/mol×K	636.31	Joback Calculated Property
Cp,gas	544.42	J/mol×K	674.05	Joback Calculated Property
Cp,gas	562.67	J/mol×K	711.80	Joback Calculated Property
Cp,gas	580.23	J/mol×K	749.54	Joback Calculated Property
Cp,gas	597.39	J/mol×K	787.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyperadiene.

Sources

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

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