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

C1C[C@H]2CCC[C@@H]2C1

Molecular Weight¹

110.20

CAS

5597-89-7

Other Names

• trans-Octahydropentalene

• 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_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).
• 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).
• 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).
• 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
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
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) 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	700.22	K	Relay (1.0) 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.80; 293.06]	J/mol×K	[404.66; 614.68]
Cp,gas	198.80	J/mol×K	404.66	Joback Calculated Property
Cp,gas	217.17	J/mol×K	439.66	Joback Calculated Property
Cp,gas	234.40	J/mol×K	474.67	Joback Calculated Property
Cp,gas	250.55	J/mol×K	509.67	Joback Calculated Property
Cp,gas	265.67	J/mol×K	544.68	Joback Calculated Property
Cp,gas	279.82	J/mol×K	579.68	Joback Calculated Property
Cp,gas	293.06	J/mol×K	614.68	Joback Calculated Property
Cp,liquid	[180.30; 201.00]	J/mol×K	[308.00; 330.00]
Cp,liquid	180.30	J/mol×K	308.00	NIST
Cp,liquid	182.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	192.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	201.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0004751; 0.0013767]	Pa×s	[208.76; 404.66]
η	0.0013767	Pa×s	208.76	Joback Calculated Property
η	0.0010227	Pa×s	241.41	Joback Calculated Property
η	0.0008155	Pa×s	274.06	Joback Calculated Property
η	0.0006824	Pa×s	306.71	Joback Calculated Property
η	0.0005909	Pa×s	339.36	Joback Calculated Property
η	0.0005248	Pa×s	372.01	Joback Calculated Property
η	0.0004751	Pa×s	404.66	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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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