Chemical Properties of Pyracyclene (CAS 187-78-0)

InChI

InChI=1S/C14H8/c1-2-10-7-8-12-4-3-11-6-5-9(1)13(10)14(11)12/h1-8H

InChI Key

SFPDOMBOFWSXDM-UHFFFAOYSA-N

Formula

C14H8

SMILES

C1=Cc2ccc3c4c(ccc1c24)C=C3

Molecular Weight¹

176.21

CAS

187-78-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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°	468.58	kJ/mol	Joback Calculated Property
ΔfH°gas	408.60	kJ/mol	NIST
ΔfH°solid	325.40 ± 3.60	kJ/mol	NIST
ΔfusH°	22.29	kJ/mol	Joback Calculated Property
ΔsubH°	[83.20; 83.20]	kJ/mol
ΔsubH°	83.20	kJ/mol	NIST
ΔsubH°	83.20	kJ/mol	NIST
ΔvapH°	54.01	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	3.807		Crippen Calculated Property
McVol	134.580	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Tboil	597.90	K	Joback Calculated Property
Tc	845.47	K	Joback Calculated Property
Tfus	409.66	K	Joback Calculated Property
Vc	0.537	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.64; 369.17]	J/mol×K	[597.90; 845.47]
Cp,gas	312.64	J/mol×K	597.90	Joback Calculated Property
Cp,gas	324.15	J/mol×K	639.16	Joback Calculated Property
Cp,gas	334.55	J/mol×K	680.42	Joback Calculated Property
Cp,gas	344.04	J/mol×K	721.69	Joback Calculated Property
Cp,gas	352.84	J/mol×K	762.95	Joback Calculated Property
Cp,gas	361.15	J/mol×K	804.21	Joback Calculated Property
Cp,gas	369.17	J/mol×K	845.47	Joback Calculated Property
η	[0.0020996; 0.0021076]	Pa×s	[409.66; 597.90]
η	0.0021076	Pa×s	409.66	Joback Calculated Property
η	0.0021058	Pa×s	441.03	Joback Calculated Property
η	0.0021042	Pa×s	472.41	Joback Calculated Property
η	0.0021028	Pa×s	503.78	Joback Calculated Property
η	0.0021016	Pa×s	535.15	Joback Calculated Property
η	0.0021005	Pa×s	566.53	Joback Calculated Property
η	0.0020996	Pa×s	597.90	Joback Calculated Property
ΔsubH	82.00	kJ/mol	342.00	NIST

Similar Compounds

Find more compounds similar to Pyracyclene.

Sources

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

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