Chemical Properties of trans-Bicyclo[3.3.0]octane (CAS 5597-89-7)

InChI

InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8-

InChI Key

AEBWATHAIVJLTA-ZKCHVHJHSA-N

Formula

C8H14

SMILES

C1CC2CCCC2C1

Molecular Weight¹

110.20

CAS

5597-89-7

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	[-5041.70; -5040.00]	kJ/mol
ΔcH°liquid	-5040.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-5041.70 ± 5.00	kJ/mol	NIST
ΔfG°	113.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-67.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-109.00 ± 2.00	kJ/mol	NIST
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
ΔvapH°	[42.00; 42.70]	kJ/mol
ΔvapH°	42.70 ± 0.80	kJ/mol	NIST
ΔvapH°	42.00	kJ/mol	NIST
ΔvapH°	42.70 ± 0.80	kJ/mol	NIST
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.587		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Pc	3560.02	kPa	Joback Calculated Property
Tboil	[405.00; 409.40]	K
Tboil	405.00 ± 2.00	K	NIST
Tboil	409.40 ± 2.00	K	NIST
Tboil	407.00 ± 3.00	K	NIST
Tboil	405.00 ± 3.00	K	NIST
Tc	614.38	K	Joback Calculated Property
Tfus	[237.00; 244.00]	K
Tfus	243.00 ± 3.00	K	NIST
Tfus	244.00 ± 3.00	K	NIST
Tfus	237.00 ± 3.00	K	NIST
Vc	0.382	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.70; 292.95]	J/mol×K	[404.46; 614.38]
Cp,gas	198.70	J/mol×K	404.46	Joback Calculated Property
Cp,gas	217.06	J/mol×K	439.45	Joback Calculated Property
Cp,gas	234.29	J/mol×K	474.43	Joback Calculated Property
Cp,gas	250.43	J/mol×K	509.42	Joback Calculated Property
Cp,gas	265.55	J/mol×K	544.41	Joback Calculated Property
Cp,gas	279.71	J/mol×K	579.39	Joback Calculated Property
Cp,gas	292.95	J/mol×K	614.38	Joback Calculated Property
Cp,liquid	180.30	J/mol×K	308.00	NIST
η	[0.0004754; 0.0013767]	Pa×s	[208.76; 404.46]
η	0.0013767	Pa×s	208.76	Joback Calculated Property
η	0.0010230	Pa×s	241.38	Joback Calculated Property
η	0.0008158	Pa×s	273.99	Joback Calculated Property
η	0.0006827	Pa×s	306.61	Joback Calculated Property
η	0.0005912	Pa×s	339.23	Joback Calculated Property
η	0.0005251	Pa×s	371.84	Joback Calculated Property
η	0.0004754	Pa×s	404.46	Joback Calculated Property
ΔvapH	[41.30; 41.40]	kJ/mol	[309.00; 320.00]
ΔvapH	41.40	kJ/mol	309.00	NIST
ΔvapH	41.30 ± 0.40	kJ/mol	320.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to trans-Bicyclo[3.3.0]octane.

Sources

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

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