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

C1CC2CCCC2C1

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_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).
• 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).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	113.78	kJ/mol	Joback Calculated Property
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
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
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
Tc	614.38	K	Joback 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
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	212.40	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	[41.50; 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
Pvap	[1.11; 202.64]	kPa	[298.00; 442.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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