Chemical Properties of Pentalene, octahydro-, cis- (CAS 1755-05-1)

InChI

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

InChI Key

AEBWATHAIVJLTA-OCAPTIKFSA-N

Formula

C8H14

SMILES

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

Molecular Weight¹

110.20

CAS

1755-05-1

Other Names

• (Z)-Bicyclo[3.3.0]octane
• Bicyclo[3.3.0]octane
• Bicyclo[3.3.0]octane (cis)
• Octahydropentalene, (Z)-
• cis-Bicyclo[3.3.0]octane
• cis-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).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-5016.00; -4968.00]	kJ/mol
ΔcH°liquid	-5013.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-5016.00 ± 2.80	kJ/mol	NIST
ΔcH°liquid	-4968.00 ± 1.00	kJ/mol	NIST
ΔfH°gas	-93.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-136.00 ± 1.00	kJ/mol	NIST
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
ΔvapH°	[43.00; 43.10]	kJ/mol
ΔvapH°	43.10 ± 0.80	kJ/mol	NIST
ΔvapH°	43.00	kJ/mol	NIST
ΔvapH°	43.10 ± 0.80	kJ/mol	NIST
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-4.62		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
Inp	[858.00; 891.00]
Inp	859.90		NIST
Inp	865.20		NIST
Inp	870.00		NIST
Inp	858.00		NIST
Inp	863.00		NIST
Inp	865.00		NIST
Inp	869.00		NIST
Inp	874.00		NIST
Inp	858.00		NIST
Inp	870.00		NIST
Inp	870.00		NIST
Inp	Outlier 891.00		NIST
Tboil	[408.00; 410.28]	K
Tboil	410.28 ± 0.20	K	NIST
Tboil	408.00 ± 2.00	K	NIST
Tboil	409.00 ± 3.00	K	NIST
Tboil	409.40 ± 2.00	K	NIST
Tboil	409.00 ± 3.00	K	NIST
Tboil	409.00 ± 3.00	K	NIST
Tc	687.31	K	Relay (1.0) Calculated Property
Tfus	[223.82; 224.00]	K
Tfus	223.82 ± 0.20	K	NIST
Tfus	224.00 ± 8.00	K	NIST
Tfus	224.00 ± 8.00	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,liquid	[212.40; 225.40]	J/mol×K	[308.00; 330.00]
Cp,liquid	212.40	J/mol×K	308.00	NIST
Cp,liquid	214.50	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	219.90	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	225.40	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
ΔvapH	[41.50; 42.00]	kJ/mol	[308.00; 318.00]
ΔvapH	42.00	kJ/mol	308.00	NIST
ΔvapH	41.50 ± 0.40	kJ/mol	318.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.52; 395.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.15110e+02
Coefficient B			1.04640e+00
Coefficient C			-7.59000e-04
Coefficient D			2.22800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.52	J/mol×K	273.00	Calculated Property
Cp,gas	169.95	J/mol×K	353.78	Calculated Property
Cp,gas	214.56	J/mol×K	434.56	Calculated Property
Cp,gas	253.06	J/mol×K	515.33	Calculated Property
Cp,gas	286.15	J/mol×K	596.11	Calculated Property
Cp,gas	314.53	J/mol×K	676.89	Calculated Property
Cp,gas	338.91	J/mol×K	757.67	Calculated Property
Cp,gas	359.99	J/mol×K	838.44	Calculated Property
Cp,gas	378.48	J/mol×K	919.22	Calculated Property
Cp,gas	395.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011862; 0.0004441]	Pa×s	[223.94; 430.28]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.78570e+00
Coefficient B			4.58780e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			223.94
Temperature range, max.			430.28
η	0.0011862	Pa×s	223.94	Calculated Property
η	0.0009807	Pa×s	246.87	Calculated Property
η	0.0008374	Pa×s	269.79	Calculated Property
η	0.0007330	Pa×s	292.72	Calculated Property
η	0.0006541	Pa×s	315.65	Calculated Property
η	0.0005928	Pa×s	338.57	Calculated Property
η	0.0005440	Pa×s	361.50	Calculated Property
η	0.0005043	Pa×s	384.43	Calculated Property
η	0.0004716	Pa×s	407.35	Calculated Property
η	0.0004441	Pa×s	430.28	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.11; 202.64]	kPa	[298.00; 442.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45388e+01
Coefficient B			-3.70158e+03
Coefficient C			-4.15750e+01
Temperature range, min.			298.00
Temperature range, max.			442.73
Pvap	1.11	kPa	298.00	Calculated Property
Pvap	2.60	kPa	314.08	Calculated Property
Pvap	5.54	kPa	330.16	Calculated Property
Pvap	10.91	kPa	346.24	Calculated Property
Pvap	20.05	kPa	362.32	Calculated Property
Pvap	34.79	kPa	378.41	Calculated Property
Pvap	57.40	kPa	394.49	Calculated Property
Pvap	90.67	kPa	410.57	Calculated Property
Pvap	137.84	kPa	426.65	Calculated Property
Pvap	202.64	kPa	442.73	Calculated Property

Similar Compounds

Find more compounds similar to Pentalene, octahydro-, cis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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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