Chemical Properties of Spiropentane (CAS 157-40-4)

InChI

InChI=1S/C5H8/c1-2-5(1)3-4-5/h1-4H2

InChI Key

OGNAOIGAPPSUMG-UHFFFAOYSA-N

Formula

C5H8

SMILES

C1CC12CC2

Molecular Weight¹

68.12

CAS

157-40-4

Other Names

• Spiro[2.2]pentane

• Δ_cH°_gas : Standard gas 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).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°gas	[-3296.00; -3258.00]	kJ/mol
ΔcH°gas	-3296.00 ± 0.71	kJ/mol	NIST
ΔcH°gas	-3258.00 ± 1.30	kJ/mol	NIST
ΔfH°gas	185.10 ± 0.75	kJ/mol	NIST
ΔfusH°	-0.29	kJ/mol	Joback Calculated Property
ΔvapH°	[27.50; 27.70]	kJ/mol
ΔvapH°	27.70	kJ/mol	NIST
ΔvapH°	27.50 ± 0.10	kJ/mol	NIST
ΔvapH°	27.50 ± 0.10	kJ/mol	NIST
IE	[9.26; 9.73]	eV
IE	9.26	eV	NIST
IE	9.26	eV	NIST
IE	9.26	eV	NIST
IE	9.26	eV	NIST
IE	9.37 ± 0.05	eV	NIST
IE	Outlier 9.73	eV	NIST
IE	9.45	eV	NIST
logPoct/wat	1.560		Crippen Calculated Property
McVol	59.590	ml/mol	McGowan Calculated Property
S°liquid	193.68	J/mol×K	NIST
Tboil	[303.18; 312.18]	K
Tboil	312.10	K	NIST
Tboil	303.18 ± 0.10	K	NIST
Tboil	312.18 ± 0.10	K	NIST
Tc	506.40	K	NIST
Tfus	[166.10; 166.10]	K
Tfus	166.10 ± 0.10	K	NIST
Tfus	166.10 ± 0.10	K	NIST
Ttriple	[166.14; 166.14]	K
Ttriple	166.14 ± 0.05	K	NIST
Ttriple	166.14 ± 0.05	K	NIST

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[277.69; 286.35]	J/mol×K	[283.16; 312.14]
Cp,gas	277.69 ± 0.63	J/mol×K	283.16	NIST
Cp,gas	282.21 ± 0.63	J/mol×K	298.16	NIST
Cp,gas	286.35 ± 0.63	J/mol×K	312.14	NIST
Cp,liquid	134.52	J/mol×K	298.15	NIST
Csat	[108.90; 138.20]	J/mol×K	[180.00; 310.00]
Csat	108.90	J/mol×K	180.00	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
Csat	109.90	J/mol×K	190.00	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
Csat	111.20	J/mol×K	200.00	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
Csat	112.70	J/mol×K	210.00	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
Csat	114.50	J/mol×K	220.00	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
Csat	116.50	J/mol×K	230.00	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
Csat	118.70	J/mol×K	240.00	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
Csat	121.00	J/mol×K	250.00	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
Csat	123.60	J/mol×K	260.00	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
Csat	126.20	J/mol×K	270.00	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
Csat	127.10	J/mol×K	273.15	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
Csat	129.10	J/mol×K	280.00	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
Csat	132.00	J/mol×K	290.00	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
Csat	134.50	J/mol×K	298.15	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
Csat	135.10	J/mol×K	300.00	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
Csat	138.20	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
ΔfusH	[6.43; 6.43]	kJ/mol	[166.10; 166.14]
ΔfusH	6.43	kJ/mol	166.10	NIST
ΔfusH	6.43	kJ/mol	166.10	NIST
ΔfusH	6.43	kJ/mol	166.14	NIST
ΔfusH	6.43	kJ/mol	166.14	NIST
ΔvapH	[26.70; 28.60]	kJ/mol	[283.00; 312.13]
ΔvapH	28.30 ± 0.10	kJ/mol	283.00	NIST
ΔvapH	28.30 ± 0.10	kJ/mol	283.00	NIST
ΔvapH	28.60	kJ/mol	310.00	NIST
ΔvapH	26.70 ± 0.10	kJ/mol	312.00	NIST
ΔvapH	26.70 ± 0.10	kJ/mol	312.00	NIST
ΔvapH	26.76	kJ/mol	312.10	NIST
ΔvapH	26.75	kJ/mol	312.13	NIST
ΔvapH	26.75	kJ/mol	312.13	NIST
ΔfusS	[38.72; 38.72]	J/mol×K	[166.14; 166.14]
ΔfusS	38.72	J/mol×K	166.14	NIST
ΔfusS	38.72	J/mol×K	166.14	NIST
ΔvapS	[85.70; 85.70]	J/mol×K	[312.13; 312.13]
ΔvapS	85.70	J/mol×K	312.13	NIST
ΔvapS	85.70	J/mol×K	312.13	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[227.42; 333.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44024e+01
Coefficient B			-2.70023e+03
Coefficient C			-3.61160e+01
Temperature range, min.			227.42
Temperature range, max.			333.14
Pvap	1.33	kPa	227.42	Calculated Property
Pvap	3.02	kPa	239.17	Calculated Property
Pvap	6.24	kPa	250.91	Calculated Property
Pvap	11.98	kPa	262.66	Calculated Property
Pvap	21.56	kPa	274.41	Calculated Property
Pvap	36.71	kPa	286.15	Calculated Property
Pvap	59.60	kPa	297.90	Calculated Property
Pvap	92.81	kPa	309.65	Calculated Property
Pvap	139.36	kPa	321.39	Calculated Property
Pvap	202.64	kPa	333.14	Calculated Property

Similar Compounds

Find more compounds similar to Spiropentane.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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