Cyclobutane, methylene- (CAS 1120-56-5)

InChI

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

InChI Key

QIRVGKYPAOQVNP-UHFFFAOYSA-N

Formula

C5H8

SMILES

C=C1CCC1

Molecular Weight¹

68.12

CAS

1120-56-5

Other Names

Methylenecyclobutane

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_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).
I_np : Non-polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_gas : Molar entropy at standard conditions (J/mol×K).
S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	-3204.70 ± 0.50	kJ/mol	NIST
Δ_fH°_gas	[106.00; 121.50]	kJ/mol
Δ_fH°_gas	106.00	kJ/mol	NIST
Δ_fH°_gas	121.50 ± 0.71	kJ/mol	NIST
Δ_fH°_liquid	93.85 ± 0.59	kJ/mol	NIST
Δ_fusH°	2.51	kJ/mol	Joback Calculated Property
Δ_vapH°	[27.70; 27.70]	kJ/mol
Δ_vapH°	27.70 ± 0.42	kJ/mol	NIST
Δ_vapH°	27.70	kJ/mol	NIST
Δ_vapH°	27.70 ± 0.40	kJ/mol	NIST
IE	[9.12; 9.35]	eV
IE	9.19 ± 0.02	eV	NIST
IE	9.14 ± 0.08	eV	NIST
IE	9.12	eV	NIST
IE	9.16 ± 0.02	eV	NIST
IE	9.35	eV	NIST
logP_oct/wat	1.727		Crippen Calculated Property
McVol	66.150	ml/mol	McGowan Calculated Property
I_np	[534.00; 546.00]
I_np	536.00		NIST
I_np	Outlier 546.00		NIST
I_np	534.00		NIST
I_np	536.00		NIST
I_np	537.00		NIST
I_np	539.00		NIST
I_np	535.00		NIST
I_np	536.00		NIST
I_np	539.00		NIST
I_np	535.00		NIST
S°_gas	298.90 ± 1.00	J/mol×K	NIST
S°_liquid	[210.20; 210.60]	J/mol×K
S°_liquid	210.20	J/mol×K	NIST
S°_liquid	210.60	J/mol×K	NIST
S°_liquid	210.60	J/mol×K	NIST
S°_liquid	210.60	J/mol×K	NIST
T_boil	[308.30; 315.40]	K
T_boil	315.40	K	NIST
T_boil	315.00 ± 2.00	K	NIST
T_boil	Outlier 308.30 ± 5.00	K	NIST
T_boil	315.00 ± 4.00	K	NIST
T_boil	315.00 ± 3.00	K	NIST
T_boil	315.00 ± 2.00	K	NIST
T_boil	314.90 ± 1.00	K	NIST
T_boil	315.35 ± 0.30	K	NIST
T_boil	315.37 ± 0.10	K	NIST
T_boil	315.00 ± 4.00	K	NIST
T_fus	138.47 ± 0.20	K	NIST
T_triple	[138.53; 138.62]	K
T_triple	138.53 ± 0.01	K	NIST
T_triple	138.62 ± 0.01	K	NIST
T_triple	138.53 ± 0.01	K	NIST
T_triple	138.62 ± 0.01	K	NIST

Cheméo can also estimate Critical Temperature, 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
C_p,gas	[95.84; 146.38]	J/mol×K	[328.84; 518.22]

C_p,gas	95.84	J/mol×K	328.84	Joback Calculated Property
C_p,gas	105.48	J/mol×K	360.40	Joback Calculated Property
C_p,gas	114.60	J/mol×K	391.97	Joback Calculated Property
C_p,gas	123.23	J/mol×K	423.53	Joback Calculated Property
C_p,gas	131.39	J/mol×K	455.09	Joback Calculated Property
C_p,gas	139.10	J/mol×K	486.65	Joback Calculated Property
C_p,gas	146.38	J/mol×K	518.22	Joback Calculated Property
C_p,liquid	[106.90; 133.60]	J/mol×K	[140.00; 300.00]

C_p,liquid	107.40	J/mol×K	140.00	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
C_p,liquid	107.00	J/mol×K	150.00	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
C_p,liquid	106.90	J/mol×K	160.00	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
C_p,liquid	107.10	J/mol×K	170.00	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
C_p,liquid	107.60	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
C_p,liquid	108.50	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
C_p,liquid	109.60	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
C_p,liquid	110.90	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
C_p,liquid	112.50	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
C_p,liquid	114.30	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
C_p,liquid	116.30	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
C_p,liquid	118.50	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
C_p,liquid	120.90	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
C_p,liquid	123.40	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
C_p,liquid	124.20	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
C_p,liquid	126.00	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
C_p,liquid	128.80	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
C_p,liquid	131.10	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
C_p,liquid	131.10	J/mol×K	298.15	NIST
C_p,liquid	133.60	J/mol×K	298.15	NIST
C_p,liquid	133.60	J/mol×K	298.15	NIST
C_p,liquid	133.60	J/mol×K	298.15	NIST
C_p,liquid	131.60	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
η	[0.0002597; 0.0011307]	Pa×s	[178.45; 328.84]

η	0.0011307	Pa×s	178.45	Joback Calculated Property
η	0.0007608	Pa×s	203.51	Joback Calculated Property
η	0.0005584	Pa×s	228.58	Joback Calculated Property
η	0.0004357	Pa×s	253.64	Joback Calculated Property
η	0.0003555	Pa×s	278.71	Joback Calculated Property
η	0.0002999	Pa×s	303.77	Joback Calculated Property
η	0.0002597	Pa×s	328.84	Joback Calculated Property
Δ_fusH	[5.75; 5.86]	kJ/mol	[138.50; 138.62]

Δ_fusH	5.86	kJ/mol	138.50	NIST
Δ_fusH	5.86	kJ/mol	138.50	NIST
Δ_fusH	5.75	kJ/mol	138.62	NIST
Δ_fusH	5.75	kJ/mol	138.62	NIST
Δ_fusH	5.75	kJ/mol	138.62	NIST
Δ_fusH	5.76	kJ/mol	138.62	NIST
Δ_vapH	[26.10; 29.10]	kJ/mol	[299.00; 303.00]
Δ_vapH	29.10	kJ/mol	299.00	NIST
Δ_vapH	29.10	kJ/mol	299.00	NIST
Δ_vapH	26.10	kJ/mol	303.00	NIST
Δ_fusS	[41.60; 41.60]	J/mol×K	[138.62; 138.62]
Δ_fusS	41.60	J/mol×K	138.62	NIST
Δ_fusS	41.60	J/mol×K	138.62	NIST
Δ_fusS	41.60	J/mol×K	138.62	NIST
Δ_fusS	41.60	J/mol×K	138.62	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	315.20	K	99.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[228.31; 337.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38886e+01
Coefficient B			-2.53404e+03
Coefficient C			-4.19990e+01
Temperature range, min.			228.31
Temperature range, max.			337.44

P_vap	1.33	kPa	228.31	Calculated Property
P_vap	3.06	kPa	240.44	Calculated Property
P_vap	6.39	kPa	252.56	Calculated Property
P_vap	12.30	kPa	264.69	Calculated Property
P_vap	22.13	kPa	276.81	Calculated Property
P_vap	37.59	kPa	288.94	Calculated Property
P_vap	60.77	kPa	301.06	Calculated Property
P_vap	94.11	kPa	313.19	Calculated Property
P_vap	140.38	kPa	325.31	Calculated Property
P_vap	202.65	kPa	337.44	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane, methylene-.

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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